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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
The skin senitization 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 sensitizing to the skin of guinea pigs. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate can be considered to be sensitizing to skin and can be classified under the category “ Category 1 (skin sensitising) based on GHS criteria” as per CLP regulation.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- 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:
- OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- 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:
- guinea pig
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals and environmental conditions:
- No data available
- Route:
- other: Not specified
- Vehicle:
- not specified
- Concentration / amount:
- Not specified
- Day(s)/duration:
- Not specified
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- other: Not specified
- Vehicle:
- not specified
- Concentration / amount:
- Not specified
- Day(s)/duration:
- Not specified
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- Not specified
- Details on study design:
- No data available
- Challenge controls:
- Not specified
- Positive control substance(s):
- not specified
- Reading:
- 1st reading
- Group:
- test chemical
- Dose level:
- Not specified
- Clinical observations:
- Not specified
- Remarks on result:
- positive indication of skin sensitisation
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- 2-chlorobenzene-1,4-diammonium sulphate was considered to be sensitizing to skin of guinea pigs.
- Executive summary:
The skin sensitization 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 sensitizing to the skin of guinea pigs. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate can be considered to be sensitizing to skin and can be classified under the category “ Category 1 (skin sensitizing) based on GHS criteria” as per CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "S M W N"
Estimation method: Takes highest mode value from the 9 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and "p" )
)
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 Aminoaniline, para AND Aniline
AND Aryl AND Aryl halide AND No functional group found AND Precursors
quinoid compounds by Organic Functional groups
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Aminoaniline, meta by Organic
Functional groups
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aminoaniline, para AND Aniline
AND Aryl AND Aryl halide AND No functional group found AND Precursors
quinoid compounds by Organic Functional groups
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
Functional groups
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aminoaniline, para AND Aniline
AND Aryl AND Aryl halide AND No functional group found AND Precursors
quinoid compounds by Organic Functional groups
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aromatic amine by Organic
Functional groups
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Inclusion
rules not met by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Phenols by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.08
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.8
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
Skin sensitization:
In different studies, 2-chlorobenzene-1,4-diammonium sulphate has been investigated for potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs 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 skin sanitization 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 sensitizing to the skin of guinea pigs. Based on the estimated results, 2-chlorobenzene-1,4-diammonium sulphate can be considered to be sensitizing to skin and can be classified under the category “ Category 1 (skin sensitizing) based on GHS criteria” 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 attest material to evaluate skin sensitization potential on the Hartley albino guinea pigs skin
In the induction treatment the test material was applied in the concentration 1% in white petrolatum under occlusive patch to the nape of 10 guinea pigsfor 48 hrs three times per week for 2 weeks.The animals were given 2 weeks non treatment period after the induction treatment and before challenge treatment .
The challenge treatment was givenunder occlusive patch to the flanks of the test animals for 48 hrs and the animals were observed for 24 and 48 hrs after the removal of test material. Sensitization rate for 0.1% test solution was 10% and 1% test solution was 40%. Positive skin sensitization reactions were observed. Hence,2-methyl-p-phenylenediamine sulphate was considered to be sensitizing to guinea pig’s skin.
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 its skin sensitization potential on fifteen Pirbright white guinea pigs using the maximization test of Magnusson and Kligman.
In induction period the test material was subjected in to the test animal by 5 intracutaneous injections of 0.3% in distilled water over a period of 5 days.Ten female Pirbright white guinea pigs, which received no injections, served as controls. Challenge was proceeded after 4 weeks of resting period.
In challenge treatment animal were applied with subcutaneous patch of test material in the concentration 0.003, 0.006, 0.03, and 0.3% ,and their reactions were scored after 24 and 48 h. A Student’s t-test was used to compare the skin reaction scores of the test and control animals.
Positive skin allergic reactions were observed. Hence,2-Chloro-1,4-phenylenediamine was considered to be skin sensitizing.
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 sensitizing to skin. Itcan be classified under the category “Category 1 (skin sensitising) based on GHS criteria” as per CLP regulation
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
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 sensitizing to skin. Itcan be classified under the category “Category 1 (skin sensitising) based on GHS criteria” as per CLP regulation
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