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EC number: 303-153-4 | CAS number: 94158-80-2
- Life Cycle description
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- Endpoint summary
- Appearance / physical state / colour
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- Density
- Particle size distribution (Granulometry)
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- Oxidation reduction potential
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- pH
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- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
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- 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
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:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: As menioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- - Source: Bred on the premises of the testing laboratory
- Age at study initiation: 3 to 4 months
- Weight at study initiation: Males: 2.33 kg; Females: 2.06 kg
- Housing: Caged singly
- Diet: A commercial irradiated diet (Styles-Oxoid), ad libitum
- Water: Sterile filtered water, ad libitum
- Acclimation period: 1 week
ENVIRONMENTAL CONDITIONS
- Temperature: 20 ± 1°C
- Humidity: 50-70 %
- Photoperiod: Animals were exposed to artificial light for 10 h daily from 08.00 - 18.00 h - Type of coverage:
- occlusive
- Preparation of test site:
- other: both abraded and intact skin areas lateral to the midline of the back
- Vehicle:
- water
- Controls:
- not specified
- Amount / concentration applied:
- Concentration (if solution): 66.66 %
- Duration of treatment / exposure:
- 24 h
- Observation period:
- Up to 72 h (The skin reactions were assessed at 24 and 72 h)
- Number of animals:
- 6
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: 24 and 72 hours
- Score:
- 0
- Reversibility:
- fully reversible
- Remarks on result:
- other: not irritating
- Interpretation of results:
- not irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The test substance 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt is estimated to be not irritating to skin of New Zealand White rabbit.
- Executive summary:
The skin irritation potential for 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4 -((4-chloro-6- ((4- (ethenylsulfonyl)phenyl)amino) -1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt is estimated using OECD QSAR toolbox version 3.3. The test substance 1,3,6- Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino) -4-((4-chloro-6- ((4- (ethenylsulfonyl) phenyl)amino) -1,3,5-triazin-2-yl) amino)phenyl)azo)-, sodium salt is estimated to be not irritating to skin of New Zealand White rabbit.
Reference
Estimation method: Takes mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((("a" or "b" or "c" or "d" or "e" or "f" or "g" ) and ("h" and ( not "i") ) ) and ("j" and ( not "k") ) ) and "l" ) and ("m" and "n" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Moderate reactive AND Moderate reactive >> Activated 1,3,5-triazine derivatives AND Not possible to classify according to these rules by DPRA Cysteine peptide depletion
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Aromatic phenylureas by DNA binding by OECD
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Moderate reactive AND Moderate reactive >> Activated 1,3,5-triazine derivatives by DPRA Cysteine peptide depletion
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as High reactive AND High reactive >> Activated 1,3,5-triazine derivatives by DPRA Lysine peptide depletion
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Michael addition AND Michael addition >> Michael addition on polarised Alkenes AND Michael addition >> Michael addition on polarised Alkenes >> Polarised Alkenes - sulfones AND 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: "f"
Referential boundary: The target chemical should be classified as Michael addition AND Michael addition >> Polarised Alkenes AND Michael addition >> Polarised Alkenes >> Polarised alkene - sulfinyl AND Michael addition >> Polarised Alkenes >> Polarised alkene - sulfone AND SNAr AND SNAr >> Nucleophilic aromatic substitution AND SNAr >> Nucleophilic aromatic substitution >> Halo-triazines by Protein binding by OECD
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Highly reactive (GSH) AND Highly reactive (GSH) >> Phenyl vinyl sulfone (MA) by Protein binding potency
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Non binder, MW>500 by Estrogen Receptor Binding
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Michael addition AND Michael addition >> Michael addition on polarised Alkenes AND Michael addition >> Michael addition on polarised Alkenes >> Polarised Alkenes - sulfones AND 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: "k"
Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Michael-type addition to quinoid structures OR AN2 >> Michael-type addition to quinoid structures >> Quinoneimine OR AN2 >> Michael-type addition to quinoid structures >> Substituted Anilines OR Nucleophilic addition OR Nucleophilic addition >> Addition to carbon-hetero double bonds OR Nucleophilic addition >> Addition to carbon-hetero double bonds >> Ketones by Protein binding by OASIS v1.4
Domain logical expression index: "l"
Similarity boundary:Target: C=CS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(N=Nc4cc5c(cc4S(O)(=O)=O)cc(S(O)(=O)=O)cc5S(O)(=O)=O)c(NC(N)=O)c3)nc(Cl)n2)cc1
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain logical expression index: "m"
Parametric boundary:The target chemical should have a value of log Kow which is >= -2.99
Domain logical expression index: "n"
Parametric boundary:The target chemical should have a value of log Kow which is <= 0.624
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:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: data from QSAR prediction
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: predicted data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Species:
- rabbit
- Strain:
- New Zealand White
- Vehicle:
- unchanged (no vehicle)
- Amount / concentration applied:
- 100 mg
- Observation period (in vivo):
- 72 hours
- Number of animals or in vitro replicates:
- 3
- Irritation parameter:
- iris score
- Basis:
- mean
- Time point:
- other: overall at 24, 48 and 72hours
- Score:
- 0
- Remarks on result:
- other: max level of irritation
- Irritation parameter:
- cornea opacity score
- Basis:
- mean
- Time point:
- other: overall 24, 48 and 72 hours
- Score:
- 0
- Remarks on result:
- other: max level of irritation
- Irritation parameter:
- chemosis score
- Basis:
- mean
- Time point:
- other: overall 24, 48 and 72 hours
- Score:
- 0
- Remarks on result:
- other: max level of irritation
- Interpretation of results:
- not irritating
- Conclusions:
- The substance, 1,3,6-naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amin o]phenyl]azo]-, sodium salt was estimated to be non- irritating to rabbit eyes.
- Executive summary:
The ocular irritation potential of 1,3,6-naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amin o]phenyl]azo]-, sodium salt was predicted using OECD QSAR toolbox version 3.3
The substance, 1,3,6-naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amin o]phenyl]azo]-, sodium salt was estimated to be non- irritating to rabbit eyes.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" or "d" or "e" or "f" or "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Moderate reactive AND Moderate
reactive >> Activated 1,3,5-triazine derivatives AND Not possible to
classify according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Aromatic phenylureas by
DNA binding by OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Moderate reactive AND Moderate
reactive >> Activated 1,3,5-triazine derivatives by DPRA Cysteine
peptide depletion
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as High reactive AND High reactive
>> Activated 1,3,5-triazine derivatives by DPRA Lysine peptide depletion
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> Michael addition on polarised Alkenes AND Michael addition
>> Michael addition on polarised Alkenes >> Polarised Alkenes - sulfones
AND 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: "f"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> Polarised Alkenes AND Michael addition >> Polarised Alkenes
>> Polarised alkene - sulfinyl AND Michael addition >> Polarised Alkenes
>> Polarised alkene - sulfone AND SNAr AND SNAr >> Nucleophilic aromatic
substitution AND SNAr >> Nucleophilic aromatic substitution >>
Halo-triazines by Protein binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) AND Highly
reactive (GSH) >> Phenyl vinyl sulfone (MA) by Protein binding potency
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "i"
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 >> Schiff base formation by aldehyde
formed after metabolic activation OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation >> Geminal Polyhaloalkane
Derivatives OR Non-covalent interaction OR Non-covalent interaction >>
DNA intercalation OR Non-covalent interaction >> DNA intercalation >>
Fused-Ring Primary Aromatic Amines OR Radical 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 >> ROS formation after GSH
depletion (indirect) OR Radical >> ROS formation after GSH depletion
(indirect) >> Quinoneimines OR SN1 OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines
OR SN2 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 >> 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 by DNA
binding by OASIS v.1.4
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Moderate reactive AND Moderate
reactive >> Activated 1,3,5-triazine derivatives by DPRA Cysteine
peptide depletion
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Transition
Metals by Groups of elements
Domain
logical expression index: "n"
Similarity
boundary:Target:
C=CS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(N=Nc4cc5c(cc4S(O)(=O)=O)cc(S(O)(=O)=O)cc5S(O)(=O)=O)c(NC(N)=O)c3)nc(Cl)n2)cc1
Threshold=60%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.93
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.25
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation
The skin irritation potential for 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4 -((4-chloro-6- ((4- (ethenylsulfonyl)phenyl)amino) -1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt is estimated using OECD QSAR toolbox version 3.3. The test substance 1,3,6- Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino) -4-((4-chloro-6- ((4- (ethenylsulfonyl) phenyl)amino) -1,3,5-triazin-2-yl) amino)phenyl)azo)-, sodium salt is estimated to be not irritating to skin of New Zealand White rabbit.
Based on the QSAR prediction done using the Danish (Q)SAR Database, the skin irritation was estimated to be negative on rabbits for 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt. Thus it can be concluded that the substance 7-[[2-[(aminocarbonyl) amino]-4-[[4-chloro-6-[[4 -[vinylsulphonyl]phenyl]amino]- 1,3,5- triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt has negative skin irritation effects and it can be classified as not irritant to skin.
On the basis of available information for the target and applying weight of evidence approach, the test substance can be considered as not irritating to the skin.
Eye Irritation:
The ocular irritation potential of 1,3,6-naphthalenetrisulfonic acid,7-[[2-[(aminocarbonyl)amino]- 4-[[4-chloro-6-[[4-(ethenylsulfonyl) phenyl]amino]-1,3,5-triazin-2-yl] amin o]phenyl]azo]-, sodium salt was predicted using OECD QSAR toolbox version 3.3The substance, 1,3,6-naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amin o]phenyl]azo]-, sodium salt was estimated to be non- irritating to rabbit eyes.
On the basis of available information for the target, the test substance can be considered as not irritating to the eye
Justification for selection of skin irritation / corrosion endpoint:
The skin irritation potential for 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4 -((4-chloro-6- ((4- (ethenylsulfonyl)phenyl)amino) -1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt is estimated using OECD QSAR toolbox version 3.3. The test substance 1,3,6- Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino) -4-((4-chloro-6- ((4- (ethenylsulfonyl) phenyl)amino) -1,3,5-triazin-2-yl) amino)phenyl)azo)-, sodium salt is estimated to be not irritating to skin of New Zealand White rabbit.
Justification for selection of eye irritation endpoint:
The ocular irritation potential of 1,3,6-naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amin o]phenyl]azo]-, sodium salt was predicted using OECD QSAR toolbox version 3.3.
The substance, 1,3,6-naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amin o]phenyl]azo]-, sodium salt was estimated to be non- irritating to rabbit eyes.
Justification for classification or non-classification
The test substance1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4- (ethenylsulfonyl)phenyl)amino) -1,3,5- triazin-2-yl) amino)phenyl)azo)-, sodium saltcan be classified as non- irritant to both skin and eye.
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