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EC number: 274-356-2 | CAS number: 70161-20-5
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Skin irritation:
The dermal irritation potential of Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated using OECD QSAR toolbox v 3.4 with logPow as the primary descriptor. Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated to be not irritating to the skin of rabbits. Based on the estimated results, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be not irritating to skin and can be classified under the category “ Not Classified ” as per CLP regulation.
Eye irritation:
The ocular irritation potential of Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated using OECD QSAR toolbox v 3.4 with logPow as the primary descriptor. Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated to be irritating to the eye of rabbits. Based on the estimated results, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be irritating to eye and can be classified under the category “ Category 2 (irritating to eyes) based on GHS criteria ” as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is predicted using OECD QSAR toolbox version 3.4 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done by using OECD QSAR toolbox v3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of the test material: Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra
- IUPAC name: Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra
- Molecular weight: No data
- Molecular formula: C24H11Cl3CuN7O9S2.3Na
-substance type: organic
-physical state: solid
- Smiles:OS(=O)(=O)c1ccc2c(c1)C(=O)O{-}.[Cu]{2+}13N2=NC(c2ccccc2)N=N1c1cc(S(O)(=O)=O)cc(Nc2c(Cl)c(Cl)nc(Cl)n2)c1O{-}.3 - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- No data available .
- Type of coverage:
- not specified
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- Not specified
- Duration of treatment / exposure:
- 24 hrs
- Observation period:
- 24 hrs
- Number of animals:
- Not specified
- Details on study design:
- Not specified
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- other: Not irritating
- Conclusions:
- Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was considered to be not irritating to rabbit skin.
- Executive summary:
The dermal irritation potential of Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated using OECD QSAR toolbox v 3.4 with logPow as the primary descriptor. Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated to be not irritating to the skin of rabbits. Based on the estimated results, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be not irritating to skin and can be classified under the category “ Not Classified ” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 8 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and "h" )
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and ("m"
and (
not "n")
)
)
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution on activated aryl and heteroaryl compounds AND
SNAr >> Nucleophilic aromatic substitution on activated aryl and
heteroaryl compounds >> Activated aryl and heteroaryl compounds by
Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution AND SNAr >> Nucleophilic aromatic substitution >>
Halo-pyrimidines by Protein binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Nucleophilic addition reaction
with cycloisomerization OR AN2 >> Nucleophilic addition reaction with
cycloisomerization >> Hydrazine Derivatives OR AN2 >> Schiff base
formation by aldehyde formed after metabolic activation OR AN2 >> Schiff
base formation by aldehyde formed after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR AN2 >> Shiff base formation after aldehyde
release OR AN2 >> Shiff base formation after aldehyde release >>
Specific Acetate Esters OR AN2 >> Shiff base formation for aldehydes OR
AN2 >> Shiff base formation for aldehydes >> Haloalkane Derivatives with
Labile Halogen OR Non-covalent interaction OR Non-covalent interaction
>> DNA intercalation OR Non-covalent interaction >> DNA intercalation >>
Fused-Ring Primary Aromatic Amines OR Non-covalent interaction >> DNA
intercalation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide
Derivatives OR Radical OR Radical >> Radical mechanism by ROS formation
(indirect) or direct radical attack on DNA OR Radical >> Radical
mechanism by ROS formation (indirect) or direct radical attack on DNA >>
Organic Peroxy Compounds OR Radical >> Radical mechanism via ROS
formation (indirect) OR Radical >> Radical mechanism via ROS formation
(indirect) >> Fused-Ring Primary Aromatic Amines OR Radical >> Radical
mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> Hydrazine Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitro Azoarenes OR Radical >> Radical mechanism
via ROS formation (indirect) >> Nitroarenes with Other Active Groups OR
Radical >> Radical mechanism via ROS formation (indirect) >>
Polynitroarenes OR Radical >> ROS formation after GSH depletion
(indirect) OR Radical >> ROS formation after GSH depletion (indirect) >>
Haloalcohols OR Radical >> ROS formation after GSH depletion (indirect)
>> Quinoneimines OR SN1 OR SN1 >> Alkylation after metabolically formed
carbenium ion species OR SN1 >> Alkylation after metabolically formed
carbenium ion species >> Polycyclic Aromatic Hydrocarbon and
Naphthalenediimide Derivatives OR SN1 >> Carbenium ion formation OR SN1
>> Carbenium ion formation >> Alpha-Haloethers OR SN1 >> Nucleophilic
attack after carbenium ion formation OR SN1 >> Nucleophilic attack after
carbenium ion formation >> Specific Acetate Esters OR SN1 >>
Nucleophilic attack after diazonium or carbenium ion formation OR SN1 >>
Nucleophilic attack after diazonium or carbenium ion formation >>
Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines
OR SN1 >> Nucleophilic attack after reduction and nitrenium ion
formation OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitro Azoarenes OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Nitroarenes with Other Active
Groups OR SN1 >> Nucleophilic attack after reduction and nitrenium ion
formation >> Polynitroarenes OR SN2 OR SN2 >> Acylation OR SN2 >>
Acylation >> Specific Acetate Esters OR SN2 >> Acylation involving a
leaving group OR SN2 >> Acylation involving a leaving group >>
Haloalkane Derivatives with Labile Halogen OR SN2 >> Acylation involving
a leaving group after metabolic activation OR SN2 >> Acylation involving
a leaving group after metabolic activation >> Geminal Polyhaloalkane
Derivatives OR SN2 >> Alkylation by epoxide metabolically formed after
E2 reaction OR SN2 >> Alkylation by epoxide metabolically formed after
E2 reaction >> Haloalcohols OR SN2 >> Alkylation, direct acting epoxides
and related OR SN2 >> Alkylation, direct acting epoxides and related >>
Epoxides and Aziridines OR SN2 >> Alkylation, direct acting epoxides and
related after P450-mediated metabolic activation OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide
Derivatives OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom >> Haloalkane Derivatives with Labile Halogen OR SN2 >>
Direct nucleophilic attack on diazonium cation OR SN2 >> Direct
nucleophilic attack on diazonium cation >> Hydrazine Derivatives OR SN2
>> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >>
Nucleophilic substitution at sp3 carbon atom after thiol (glutathione)
conjugation OR SN2 >> Nucleophilic substitution at sp3 carbon atom after
thiol (glutathione) conjugation >> Geminal Polyhaloalkane Derivatives OR
SN2 >> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2
OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >> Nitroarenes
with Other Active Groups by DNA binding by OASIS v.1.4
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, non cyclic structure OR Non binder, without OH or
NH2 group OR Strong binder, NH2 group OR Strong binder, OH group OR Very
strong binder, OH group OR Weak binder, NH2 group by Estrogen Receptor
Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group CN Lipid
Solubility < 0.4 g/kg OR Group All log Kow > 9 OR Group CN Aqueous
Solubility < 0.0001 g/L OR Group CN Aqueous Solubility < 0.1 g/L OR
Group CN log Kow > 4.5 OR Group CN log Kow > 5.5 OR Group CN Melting
Point > 180 C OR Group CN Molecular Weight > 290 g/mol OR Group CN
Molecular Weight > 540 g/mol OR Group CN Vapour Pressure < 0.001 Pa OR
Group CNHal Aqueous Solubility < 0.001 g/L OR Group CNHal Aqueous
Solubility < 0.1 g/L OR Group CNHal log Kow > 3.8 OR Group CNHal
Molecular Weight > 370 g/mol OR Group CNHal Molecular Weight > 380 g/mol
OR Group CNS Melting Point > 120 C OR Group CNS Melting Point > 50 C by
Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "k"
Similarity
boundary:Target:
OS(=O)(=O)c1ccc2c(c1)C(=O)O{-}.[Cu]{2+}13N2=NC(c2ccccc2)N=N1c1cc(S(O)(=O)=O)cc(Nc2c(Cl)c(Cl)nc(Cl)n2)c1O{-}.3
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Similarity
boundary:Target:
OS(=O)(=O)c1ccc2c(c1)C(=O)O{-}.[Cu]{2+}13N2=NC(c2ccccc2)N=N1c1cc(S(O)(=O)=O)cc(Nc2c(Cl)c(Cl)nc(Cl)n2)c1O{-}.3
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Nitrogen, two aromatic attach [-N-] AND Amino, aliphatic
attach [-N<] AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Carbonyl,
olefinic attach [-C(=O)-] AND Carbonyl, one aromatic attach [-C(=O)-]
AND Chlorine, aromatic attach [-Cl] AND Chlorine, olefinic attach [-Cl]
AND Hydroxy, sulfur attach [-OH] AND Miscellaneous metal [Ni, Cu, Zr,
Be] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, hydrogen
attach {v+5} AND Nitrogen, two or tree olefinic attach [>N-] AND
Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND
Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aromatic-N-C-Aromatic by
Organic functional groups (US EPA)
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -17.6
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.638
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is predicted using OECD QSAR toolbox version 3.4 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done by using OECD QSAR toolbox v3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of the test material: Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra
- IUPAC name: Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra
- Molecular weight: No data
- Molecular formula: C24H11Cl3CuN7O9S2.3Na
-substance type: organic
-physical state: solid
- Smiles:OS(=O)(=O)c1ccc2c(c1)C(=O)O{-}.[Cu]{2+}13N2=NC(c2ccccc2)N=N1c1cc(S(O)(=O)=O)cc(Nc2c(Cl)c(Cl)nc(Cl)n2)c1O{-}.3 - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- Not specified
- Duration of treatment / exposure:
- Not specified
- Observation period (in vivo):
- Not specified
- Number of animals or in vitro replicates:
- Not specified
- Details on study design:
- Not specified
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: Not specified
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was considered to be irritating to eye.
- Executive summary:
The ocular irritation potential of Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated using OECD QSAR toolbox v 3.4 with logPow as the primary descriptor. Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated to be irritating to the eye of rabbits. Based on the estimated results, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be irritating to eye and can be classified under the category “ Category 2 (irritating to eyes) based on GHS criteria ” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((((((((((((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and (
not "w")
)
)
and ("x"
and (
not "y")
)
)
and ("z"
and (
not "aa")
)
)
and ("ab"
and (
not "ac")
)
)
and ("ad"
and (
not "ae")
)
)
and ("af"
and (
not "ag")
)
)
and ("ah"
and (
not "ai")
)
)
and ("aj"
and (
not "ak")
)
)
and ("al"
and (
not "am")
)
)
and ("an"
and (
not "ao")
)
)
and ("ap"
and (
not "aq")
)
)
and ("ar"
and (
not "as")
)
)
and ("at"
and (
not "au")
)
)
and ("av"
and (
not "aw")
)
)
and ("ax"
and (
not "ay")
)
)
and ("az"
and (
not "ba")
)
)
and ("bb"
and (
not "bc")
)
)
and ("bd"
and (
not "be")
)
)
and ("bf"
and (
not "bg")
)
)
and ("bh"
and (
not "bi")
)
)
and ("bj"
and (
not "bk")
)
)
and ("bl"
and "bm" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution on activated aryl and heteroaryl compounds AND
SNAr >> Nucleophilic aromatic substitution on activated aryl and
heteroaryl compounds >> Activated aryl and heteroaryl compounds by
Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution AND SNAr >> Nucleophilic aromatic substitution >>
Halo-pyrimidines by Protein binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Group CNHal Aqueous Solubility <
0.001 g/L OR Group CNHal Aqueous Solubility < 0.1 g/L OR Group CNHal log
Kow > 3.8 OR Group CNHal Molecular Weight > 370 g/mol OR Group CNHal
Molecular Weight > 380 g/mol OR Group CNS Melting Point > 120 C OR Group
CNS Melting Point > 50 C by Skin irritation/corrosion Exclusion rules by
BfR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group CN Molecular Weight > 540
g/mol by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Group CN Aqueous Solubility <
0.1 g/L OR Group CN log Kow > 4.5 by Skin irritation/corrosion Exclusion
rules by BfR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Group C Melting Point > 55 C OR
Group C Molecular Weight > 350 g/mol by Skin irritation/corrosion
Exclusion rules by BfR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group All log Kow > 9 by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Exclusion rules not met by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All log Kow < -3.1 AND Group All
Melting Point > 200 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group CNHal Lipid
Solubility < 4 g/kg OR (!Undefined)Group CNHal Lipid Solubility < 400
g/kg by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Activated N-heterocycles by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Esters of organic sulfonic or
sulfuric esters by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Activated N-heterocycles by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Primary and secondary aliphatic
amines by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Activated N-heterocycles by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Esters including acrylic and
methacrylic esters by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Group 11 - Trans.Metals Cu,Ag,Au
AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen
O AND Group 16 - Sulfur S AND Group 17 - Halogens Cl AND Group 17 -
Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Group 17 - Halogens Br by
Chemical elements
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Group 11 - Trans.Metals Cu,Ag,Au
AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen
O AND Group 16 - Sulfur S AND Group 17 - Halogens Cl AND Group 17 -
Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Group 6 - Trans.Metals Cr,Mo,W
by Chemical elements
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Group 11 - Trans.Metals Cu,Ag,Au
AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen
O AND Group 16 - Sulfur S AND Group 17 - Halogens Cl AND Group 17 -
Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Group 17 - Halogens F by
Chemical elements
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as tert-Butyl by Organic Functional
groups
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Tetralin OR Thiazole/
Isothiazole by Organic Functional groups
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Quinoid compounds by Organic
Functional groups
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as Pyridone by Organic Functional
groups
Domain
logical expression index: "al"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "am"
Referential
boundary: The
target chemical should be classified as N-Haloamine by Organic
Functional groups
Domain
logical expression index: "an"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "ao"
Referential
boundary: The
target chemical should be classified as Isocyanate OR Isopropyl by
Organic Functional groups
Domain
logical expression index: "ap"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "aq"
Referential
boundary: The
target chemical should be classified as Epoxide by Organic Functional
groups
Domain
logical expression index: "ar"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "as"
Referential
boundary: The
target chemical should be classified as Cycloalkane by Organic
Functional groups
Domain
logical expression index: "at"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "au"
Referential
boundary: The
target chemical should be classified as Aralkyl hydroperoxyde by Organic
Functional groups
Domain
logical expression index: "av"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "aw"
Referential
boundary: The
target chemical should be classified as Alpha amino acid by Organic
Functional groups
Domain
logical expression index: "ax"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "ay"
Referential
boundary: The
target chemical should be classified as Alcohol by Organic Functional
groups
Domain
logical expression index: "az"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "ba"
Referential
boundary: The
target chemical should be classified as Alkyl arenes OR Alkyl halide by
Organic Functional groups
Domain
logical expression index: "bb"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND N-Alkyldiazene AND Phenol AND Pyrimidine
AND Sulfonic acid AND Unsaturated heterocyclic fragment by Organic
Functional groups
Domain
logical expression index: "bc"
Referential
boundary: The
target chemical should be classified as Aldehyde by Organic Functional
groups
Domain
logical expression index: "bd"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aromatic
heterocyclic halide AND Aryl AND Aryl halide AND Carboxylic acid AND
Fused carbocyclic aromatic AND Fused saturated heterocycles AND Fused
unsaturated heterocycles AND Overlapping groups AND Phenol AND Sulfonic
acid AND Unsaturated heterocyclic fragment by Organic Functional groups
(nested)
Domain
logical expression index: "be"
Referential
boundary: The
target chemical should be classified as Ketone by Organic Functional
groups (nested)
Domain
logical expression index: "bf"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Nitrogen, two aromatic attach [-N-] AND Amino, aliphatic
attach [-N<] AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Carbonyl,
olefinic attach [-C(=O)-] AND Carbonyl, one aromatic attach [-C(=O)-]
AND Chlorine, aromatic attach [-Cl] AND Chlorine, olefinic attach [-Cl]
AND Hydroxy, sulfur attach [-OH] AND Miscellaneous metal [Ni, Cu, Zr,
Be] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, hydrogen
attach {v+5} AND Nitrogen, two or tree olefinic attach [>N-] AND
Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND
Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "bg"
Referential
boundary: The
target chemical should be classified as Aromatic-N-C-Aromatic by
Organic functional groups (US EPA)
Domain
logical expression index: "bh"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Nitrogen, two aromatic attach [-N-] AND Amino, aliphatic
attach [-N<] AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Carbonyl,
olefinic attach [-C(=O)-] AND Carbonyl, one aromatic attach [-C(=O)-]
AND Chlorine, aromatic attach [-Cl] AND Chlorine, olefinic attach [-Cl]
AND Hydroxy, sulfur attach [-OH] AND Miscellaneous metal [Ni, Cu, Zr,
Be] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, hydrogen
attach {v+5} AND Nitrogen, two or tree olefinic attach [>N-] AND
Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND
Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "bi"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon, two phenyl
attach [-C-] by Organic functional groups (US EPA)
Domain
logical expression index: "bj"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "bk"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Amineptine (Hepatotoxicity) Alert OR Aromatic
hydrocarbons (Liver enzyme induction) Rank C by Repeated dose (HESS)
Domain
logical expression index: "bl"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -10.9
Domain
logical expression index: "bm"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.862
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
In different studies, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with human data for target chemical Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra and its structurally similar read across substances Aluminium, 2-(1,3-dihydro-3-oxo-5- sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid (CAS No. 16521-38-3) and Trisodium (2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-) (16038-15-6). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The dermal irritation potential of Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated using OECD QSAR toolbox v 3.4 with logPow as the primary descriptor. Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated to be not irritating to the skin of rabbits. Based on the estimated results, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be not irritating to skin and can be classified under the category “ Not Classified ” as per CLP regulation.
The above predicted data was supported by experimental study conducted by Sustainability Support Services (Europe) AB (Study no: SPL/122/019 , Date:2016-10-24) for the structurally similar read across substance Aluminium, 2-(1,3-dihydro-3-oxo-5- sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid (CAS No. 16521-38-3)
A study was designed and conducted to determine the dermal reaction profile of aluminium, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid complex (CAS: 16521-38-3) in Sprague Dawley rats. The study was performed as per OECD Guidelines 402 and complying to the GLP procedures. Ten rats (5 male and 5 female) were used for conducting dermal irritation /corrosion study.
The animals were kept in their cages for at least 5 days prior to administration for acclimatization to the laboratory condition and after acclimatization period, animals were randomly selected. Approximately 24 hours before application, the hair of each rat was closely clipped from the trunk (dorsal surface and sides from scapular to pelvic area) with an electric clipper, so as to expose at least 10% of the body surface area. The test item was moistened with distilled water. The test item was applied onto the exposed skin of the animal, taking care to spread the test item evenly over the entire area of approximately 10% of the total body surface area or as much of the area as can reasonably be covered. The test item was held in contact with the skin using a porous gauze dressing and non irritating tape around the animal to cover the exposure site for first 24 hours exposure period. Elizabethan collar was placed on each animal for first 24 hours after application of the test item. These collars prevent ingestion of test item. Following 24 hours of exposure, the wrapping was removed and the test site wiped free of excess test item. Distilled water was used to remove residual test item.
The test item Aluminium, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid was applied to shorn skin of 5 male and 5 female animals at 2000 mg/kg body weight. Administration of the test item at 2000 mg/kg did not result in any skin reaction at the site of application during the study period of 14 days.
The overall irritation score of the substance was determined to be 0 and no erythema and edema (skin irritation) were observed at the end of 14 days observation period after patch removal.
Hence, it was concluded that aluminium, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-indole-5-sulfonic acid complex (CAS: 16521-38-3) was Non-Irritating
to the skin of Sprague Dawley rats under the experimental conditions tested and classified as “Category-Not Classified” as per CLP Classification.
The above experimental result was supported by experimental data summarized in Fiber Reactive Dyes Toxicological Profiles December 1981,PB83-168732 for the structurally similar read across substance Trisodium(2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo )naphthalene -1,7-disulphonato(5-))cuprate(3-) (16038-15-6)
The dermal irritation potential of Trisodium (2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-)was assessed in rabbits.
Trisodium(2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-)was applied to the skin of rabbits and observed for signs of irritation(dose, duration not mentioned).
No skin irritation effects were observed when Trisodium (2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-)was applied to rabbit skin.
Hence,Trisodium(2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-)can be considered to be not irritating to skin.
Based on the available data for the target and read across substances and applying the weight of evidence approach,Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be not irritating to skin.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation:
In different studies, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra has been investigated for potential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with human data for target chemical Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra and its structurally similar read across substances2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino) -2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5 sulfophenyl)azo)phenylmethyl)azo)-5-sulfo-,pentasodium salt (71872-76-9)and 1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-2,4'-disulphonic acid (13324-20-4). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data
The ocular irritation potential of Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated using OECD QSAR toolbox v 3.4 with logPow as the primary descriptor. Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra was estimated to be irritating to the eye of rabbits. Based on the estimated results, Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be irritating to eye and can be classified under the category “ Category 2 (irritating to eyes) based on GHS criteria ” as per CLP regulation.
The above predicted data was supported by experimental data summarized in Fiber Reactive Dyes Toxicological Profiles December 1981, PB83-168732 for the structurally similar read across substance 2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino) -2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5 sulfophenyl)azo)phenylmethyl)azo)-5-sulfo-,pentasodium salt (71872-76-9)
The ocular irritation potential of Benzoic acid, 2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino) -2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5 sulfophenyl)azo)phenylmethyl)azo)-5-sulfo-,pentasodium salt on rabbit eye.
Positive ocular irritation reactions were observed. Hence, Benzoic acid, 2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)- 1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5 sulfophenyl)azo)phenylmethyl)azo)-5-sulfo-,pentasodium salt was considered to be irritating to rabbit eye.
The above experimental data was further supported by experimental study summarized in Fiber Reactive Dyes Toxicological Profiles December 1981, PB83-168732 for the structurally similar read across substance1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-2,4'-disulphonic acid (13324-20-4)
1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-2,4'-disulphonic acid was used as a test material to evaluate eye irritation potential .
Positive ocular irritation reactions were observed . Hence, 1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-2,4'-disulphonic acid was considered to be irritant to rabbit eye.
Based on the available data for the target and read across substances and applying the weight of evidence approach,Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to not irritating to eye.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2 (irritating to eyes) based on GHS criteria”.
Justification for classification or non-classification
Based on the available data for the target and read across substances and applying the weight of evidence approach,Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra can be considered to be not irritating to skin.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Whereas, on the basis of available data for the target and read across substances and applying the weight of evidence approach,Trisodium [2-[[alpha-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro- 4-pyrimidinyl)amino]phenyl]azo]benzyl]azo]-5-sulphobenzoato(5-)]cupra
can be considered to not irritating to eye.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2 (irritating to eyes) based on GHS criteria”.
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