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EC number: 228-291-1 | CAS number: 6219-71-2
- 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 2-chlorobenzene-1,4-diammonium sulphate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor. 2-chlorobenzene-1,4-diammonium sulphate was estimated to be not irritating to the skin of rabbits. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate 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 2-chlorobenzene-1,4-diammonium sulphate was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. 2-chlorobenzene-1,4-diammonium sulphate was estimated to be irritating to the eye of rabbits. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate 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 3.3 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 v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
Molecular formula: C6H7ClN2.xH2O4S
Molecular weight:240.6661
substance type: organic
physical state: light grey colored solid powder.
InChI:1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
Smiles:S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl - 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:
- Not specified
- Observation period:
- Not specified
- Number of animals:
- Not specified
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: Not specified
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- other: Not irritating
- Conclusions:
- 2-chlorobenzene-1,4-diammonium sulphate was considered to be not irritating to skin of rabbit.
- Executive summary:
The dermal irritation potential of 2-chlorobenzene-1,4-diammonium sulphate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor. 2-chlorobenzene-1,4-diammonium sulphate was estimated to be not irritating to the skin of rabbits. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate 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 7 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and "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 ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and "z" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA
binding by OASIS v.1.3 ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SN1 OR SN1 >> Nitrenium Ion
formation OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine by
DNA binding by OECD ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Weak binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Anilines (amino-para) OR
Anilines (Unhindered) OR Inorganic Compound by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found AND Radical AND
Radical >> Radical mechanism via ROS formation (indirect) AND Radical >>
Radical mechanism via ROS formation (indirect) >> Single-Ring
Substituted Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Single-Ring
Substituted Primary Aromatic Amines by DNA binding by OASIS v.1.3 ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found AND SN1 AND SN1
>> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Primary
aromatic amine by DNA binding by OECD ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Alkyl Sulfate and Alkyl
Alkanesulfonate Type Compounds AND Aromatic Amine Type Compounds AND
Halogenated Aromatic Hydrocarbon Type Compounds by Oncologic Primary
Classification
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Halogenated Cycloalkane Type
Compounds OR Not classified OR Organophosphorus Type Compounds OR Phenol
Type Compounds by Oncologic Primary Classification
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael addition
to the quinoid type structures OR AN2 >> Michael addition to the quinoid
type structures >> N-Subsituted Aromatic Amines OR AN2 >> Michael
addition to the quinoid type structures >> Substituted Anilines by
Protein binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for skin sensitization by OASIS v1.3
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> SN2 Reaction at a
sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated
alkyl esters and thioesters by Protein binding alerts for skin
sensitization by OASIS v1.3
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Alkali Earth by Groups of
elements
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as 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: "q"
Referential
boundary: The
target chemical should be classified as Group 17 - Halogens F OR Group
17 - Halogens I by Chemical elements
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Anilines (Hemolytic anemia with
methemoglobinemia) Rank A AND Anilines (Hepatotoxicity) Rank C AND Not
categorized by Repeated dose (HESS)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as
4,4'-Methylenedianilines/benzidines (Hepatobiliary toxicity) Rank B by
Repeated dose (HESS)
Domain
logical expression index: "t"
Similarity
boundary:Target:
Nc1ccc(N)cc1Cl_OS(O)(=O)=O
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
Aryl chloride AND Aryl halide AND Halogen derivative AND Primary amine
AND Primary aromatic amine AND Sulfuric acid AND Sulfuric acid
derivative by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Sulfuric acid monoester by
Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CNHal Lipid Solubility < 4
g/kg AND (!Undefined)Group CNHal Lipid Solubility < 400 g/kg AND
Exclusion rules not met by Skin irritation/corrosion Exclusion rules by
BfR
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Group CNS log Kow < -2 by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "y"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.53
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.37
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 3.3 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 v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
Molecular formula: C6H7ClN2.xH2O4S
Molecular weight:240.6661
substance type: organic
physical state: light grey colored solid powder.
InChI:1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
Smiles:S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl - 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:
- No data available
- Duration of treatment / exposure:
- No data available
- Observation period (in vivo):
- No data available
- Number of animals or in vitro replicates:
- No data available
- Details on study design:
- No data available
- 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:
- 2-chlorobenzene-1,4-diammonium sulphate was considered to be irritating to eye of rabbit.
- Executive summary:
The ocular irritation potential of 2-chlorobenzene-1,4-diammonium sulphate was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. 2-chlorobenzene-1,4-diammonium sulphate was estimated to be irritating to the eye of rabbits. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate 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 8 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and "i" )
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and "w" )
and ("x"
and (
not "y")
)
)
and ("z"
and (
not "aa")
)
)
and "ab" )
and ("ac"
and "ad" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA
binding by OASIS v.1.3 ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SN1 OR SN1 >> Nitrenium Ion
formation OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine by
DNA binding by OECD ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Weak binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Anilines (amino-para) OR
Anilines (Unhindered) OR Inorganic Compound by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
AND Weak binder, NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non
binder, without OH or NH2 group OR Strong binder, NH2 group OR Very
strong binder, OH group OR Weak binder, OH group by Estrogen Receptor
Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Kb, pH 7)(Hydrowin) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as 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: "k"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P OR Group
17 - Halogens Br OR Group 17 - Halogens F by Chemical elements
Domain
logical expression index: "l"
Similarity
boundary:Target:
Nc1ccc(N)cc1Cl_OS(O)(=O)=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Anilines (Hemolytic anemia with
methemoglobinemia) Rank A AND Anilines (Hepatotoxicity) Rank C AND Not
categorized by Repeated dose (HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aliphatic amines (Mucous
membrane irritation) Rank C OR Chlorphentermine (Hepatotoxicity) Alert
OR Nitrobenzenes (Hemolytic anemia with methemoglobinemia) Rank A OR
Nitrobenzenes (Hepatotoxicity) Rank C OR Thiocarbamates/Sulfides
(Hepatotoxicity) No rank by Repeated dose (HESS)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
Aryl chloride AND Aryl halide AND Halogen derivative AND Primary amine
AND Primary aromatic amine AND Sulfuric acid AND Sulfuric acid
derivative by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alkylarylether by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
Aryl chloride AND Aryl halide AND Halogen derivative AND Primary amine
AND Primary aromatic amine AND Sulfuric acid AND Sulfuric acid
derivative by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative by
Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
Aryl chloride AND Aryl halide AND Halogen derivative AND Primary amine
AND Primary aromatic amine AND Sulfuric acid AND Sulfuric acid
derivative by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Hydroxylamine OR No functional
group found by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] AND Aromatic Carbon [C] AND Chlorine, aromatic attach [-Cl]
AND Chlorine, olefinic attach [-Cl] AND Hydroxy, sulfur attach [-OH] AND
Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or
=C<] AND Suflur {v+4} or {v+6} AND Sulfate, linear [-O-SO2-O-] AND
Sulfinic acid [-S(=O)OH] AND Sulfite, linear [-OS(=O)O-] AND Sulfonic
[SO2(-OH)-O] by Organic functional groups (US EPA)
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Sulfur, S=O attach [-S-] by
Organic functional groups (US EPA)
Domain
logical expression index: "w"
Similarity
boundary:Target:
Nc1ccc(N)cc1Cl_OS(O)(=O)=O
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as No alert found by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as 4-Alkylanilines by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Aromatic amine [-NH2 or
-NH-] AND Aromatic chloride [-CL] AND Aromatic-H AND Not calculated
by Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Aromatic-CH3 by Biodegradation
fragments (BioWIN MITI)
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "ac"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4.4
Domain
logical expression index: "ad"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.09
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
In different studies, 2-chlorobenzene-1,4-diammonium sulphate 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 2-chlorobenzene-1,4-diammonium sulphate and its structurally similar read across substances 2-methyl-p-phenylenediamine sulphate (CAS:615-50-9 ) and 2-Chloro-1,4-phenylenediamine (CAS: 615-66-7). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The dermal irritation potential of 2-chlorobenzene-1,4-diammonium sulphate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor. 2-chlorobenzene-1,4-diammonium sulphate was estimated to be not irritating to the skin of rabbits. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate 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 Christina L. Burnett et.al in International Journal of Toxicology 29 ( supplement 2) 2010 for the structurally similar read across substance 2-methyl-p-phenylenediamine sulphate (CAS:615-50-9 )
2-methyl-p-phenylenediamine sulphate was used as a test material to evaluate skin irritation potential on 10 Hartley albino guinea pigs.
The test material was applied on the flanks of test animal in the concentrations of0.1%, 0.2%, 0.5%, 1%, 2%, 5% and 10% in petrolatum for 48 hrs under occlusion .
No skin reaction were observed in any of the test animals in any of the test concentrations. Hence,2-methyl-p-phenylenediamine sulphate was considered as not skin irritant.
The above experimental result was further supported by experimental study conducted by Lynn Willis in Journal of the American college of Toxicology Volume 11, Number 4,1992 for the structurally similar read across substance 2-Chloro-1,4-phenylenediamine (CAS: 615-66-7).
2-Chloro-1,4-phenylenediamine was used as a test material to evaluate skin irritation potential on 3 albino rabbits. The test material was applied on the clipped hair free skin of albino rabbits on one abraded and one intact site on each animal. The test material was used in the concentration 0.5 ml of 2.5% w/v in distilled water for 24 hrs exposure . The patches were removed and the test sites scored on a scale of 0 to 4 Sites were scored again 72 h after the application. No skin irritation reactions were observed. Hence,2-Chloro-1,4-phenylenediamine was considered to be not irritating to rabbit skin .
Based on the available data for the target as well as it read across substances;and applying the weight of evidence approach, it can be concluded that 2-chlorobenzene-1,4-diammonium sulphate was not irritating to skin. Itcan be classified under the category “Not Classified” as per CLP regulation.
Eye irritation:
In different studies, 2-chlorobenzene-1,4-diammonium sulphate 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 2-chlorobenzene-1,4-diammonium sulphate and its structurally similar read across substances 2-methylbenzene-1,4-diamine (CAS: 95-70-5 ) and 2-(2,4-diaminophenoxy)ethanol dihydrochloride (CAS: 66422-95-5). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The ocular irritation potential of 2-chlorobenzene-1,4-diammonium sulphate was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. 2-chlorobenzene-1,4-diammonium sulphate was estimated to be irritating to the eye of rabbits. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate 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 study summarized in Hazardous Substances Data Bank (HSDB) for 2-METHYL-1,4-BENZENEDIAMINE U.S National Library of Medicine 2017 for the structurally similar read across substance 2-methylbenzene-1,4-diamine (CAS: 95-70-5 )
2,5-Diaminotoluene was used as a test material to evaluate ocular irritation potential on three rabbits. The test material was installed onto the eyes of rabbits in the concentration 0.1 mL of a 2.5% w/v in aqueous sodium sulphite (pH 7.0) for 10 sec. After 10 seconds the eye was rinsed with 50 mL of lukewarm water.eyes were evaluated and scored by Draize scoring system at 1 hr and then at Days 1, 2, 3, 4, and 7.
Mild conjuctival irritation was observed in 2 animals on day 1 and 3 respectively . No data regarding reversibility of the irritation was stated. Under the conditions of this test, toluene-2,5-diamine solution caused slight irritation to rabbit eyes.
The above experimental result was further supported by experimental data summarized in Opinion on: 2,4-diaminophenoxyethanol and its Salts European Commission (EC) - Scientific Committee on Consumer Products (SCCP) 2006 and Human Health tier II assessment for Ethanol, 2-(2,4- diaminophenoxy)-, dihydrochloride INVENTORY MULTI-TIERED ASSESSMENT AND PRIORITISATION (IMAP) - the National Industrial Chemicals Notification and Assessment Scheme (NICNAS) 2017 for the structurally similar read across substance2-(2,4-diaminophenoxy)ethanol dihydrochloride (CAS: 66422-95-5)
2-(2,4-diaminophenoxy)ethanol dihydrochloride was used as a test material to evaluate its eye irritation potential on three female New Zealand white rabbits according to guideline OECD 405. The test material was installed in the conjunctival sac of the left eye of the animals. The right eye was served as control . The eyes were not rinsed following instillation of the test item. Ocular reactions were assessed 1, 24, 48 and 72 hours after instillation, as well as on day 8 and day 15. The ocular reactions such as moderate to marked chemosis and slight to moderate redness of conjunctivae, slight to moderate corneal opacification and slight iridal lesions were observed.
At day 15 , similar though less marked ocular reactions were observed. Hence, 2-(2,4-diaminophenoxy)ethanol dihydrochloride was considered to be irritating to rabbit eye.
Based on the available data for the target as well as it read across substances;and applying the weight of evidence approach, it can be concluded that 2-chlorobenzene-1,4-diammonium sulphate was irritating to eye. It can be classified under the category “Category 2 (irritating to eyes) based on GHS criteria” as per CLP regulation.
Justification for classification or non-classification
Based on the available data for the target as well as it read across substances;and applying the weight of evidence approach, it can be concluded that 2-chlorobenzene-1,4-diammonium sulphate was not irritating to skin. Itcan be classified under the category “Not Classified” as per CLP regulation .
Whereas, on the basis of available data for the target as well as it read across substances;and applying the weight of evidence approach, it can be concluded that 2-chlorobenzene-1,4-diammonium sulphate was irritating to eye. It can be classified under the category “Category 2 (irritating to eyes) based on GHS criteria” as per CLP regulation.
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