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EC number: 202-534-1 | CAS number: 96-78-6
- 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 sensitization potential of 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances of 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was predicted to be not sensitizing to the skin of female Pirbright-Hartley guinea pig.
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:
- 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 from OECD QSAR toolbox v3.4 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: As mentioned below
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.4, 2017
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- No data available
- Specific details on test material used for the study:
- - Name of test material: 5-acetamido-2-aminobenzenesulphonic acid
- IUPAC name: 2-amino-5-acetamidobenzene-1-sulfonic acid
- Molecular formula: C8H10N2O4S
- Molecular weight: 230.243 g/mole
- Smiles :O=C(Nc1ccc(N)c(S(=O)(=O)O)c1)C
- Inchl: 1S/C8H10N2O4S/c1-5(11)10-6-2-3-7(9)8(4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
- Substance type: Organic
- Physical state: Solid crystal powder (white to yellowish grey) - Species:
- guinea pig
- Strain:
- Pirbright-Hartley
- Sex:
- female
- Details on test animals and environmental conditions:
- No data available
- No. of animals per dose:
- Total :15
Test group:10
control group:5 - Details on study design:
- No data available
- Challenge controls:
- No data available
- Positive control substance(s):
- not specified
- Statistics:
- No data available
- Positive control results:
- No data available
- Reading:
- 1st reading
- Group:
- test chemical
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Clinical observations:
- No skin sensitization reaction was observed
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitising
- Conclusions:
- The skin sensitization potential of 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances of 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was predicted to be not sensitizing to the skin of female Pirbright-Hartley guinea pig.
- Executive summary:
The skin sensitization potential of2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances of 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was predicted to be not sensitizing to the skin of female Pirbright-Hartley guinea pig.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
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" )
and ("f"
and (
not "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 Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as 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 nitrenium ion
formation AND SN1 >> Nucleophilic attack after nitrenium ion formation
>> Single-Ring Substituted Primary Aromatic Amines by DNA binding by
OASIS v.1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group AND
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides AND Acylation >> Direct
acylation involving a leaving group AND Acylation >> Direct acylation
involving a leaving group >> Carboxylic Acid Amides AND Acylation >>
Ester aminolysis AND Acylation >> Ester aminolysis >> Amides AND AN2 AND
AN2 >> Michael-type addition to quinoid structures AND AN2 >>
Michael-type addition to quinoid structures >> Carboxylic Acid Amides
AND AN2 >> Michael-type addition to quinoid structures >> Substituted
Anilines by Protein binding by OASIS v1.4
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Addition of an Acyl Halide OR Acylation >> Direct Addition of an Acyl
Halide >> Alkyl carbamyl halides OR Michael addition OR Michael addition
>> P450 Mediated Activation of Heterocyclic Ring Systems OR Michael
addition >> P450 Mediated Activation of Heterocyclic Ring Systems >>
Furans OR Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals OR Michael addition >> P450 Mediated Activation
to Quinones and Quinone-type Chemicals >> Alkyl phenols OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals >> Arenes OR Michael addition >> P450 Mediated Activation to
Quinones and Quinone-type Chemicals >> Hydroquinones OR Michael addition
>> Polarised Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated amides OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated esters OR Schiff base formers OR Schiff base formers >>
Chemicals Activated by P450 to Glyoxal OR Schiff base formers >>
Chemicals Activated by P450 to Glyoxal >> Ethanolamines (including
morpholine) OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion
Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium Ion formation
OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium
Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >>
Primary (unsaturated) heterocyclic amine OR SN1 >> Nitrenium Ion
formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >>
Secondary aromatic amine OR SN1 >> Nitrenium Ion formation >> Tertiary
aromatic amine OR SN1 >> Nitrenium Ion formation >> Unsaturated
heterocyclic azo by DNA binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acylation >> Direct Acylation
Involving a Leaving group >> Anhydrides OR Acylation >> Direct Acylation
Involving a Leaving group >> Azlactone OR Michael addition OR Michael
addition >> Acid imides OR Michael addition >> Acid imides >> Acid
imides-MA OR No alert found OR SN2 OR SN2 >> SN2 reaction at a sulphur
atom OR SN2 >> SN2 reaction at a sulphur atom >> Disulfides OR SN2 >>
SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon
atom >> Allyl acetates and related chemicals by Protein binding by OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Moderately reactive (GSH) OR
Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) by Protein
binding potency
Domain
logical expression index: "l"
Similarity
boundary:Target:
CC(=O)Nc1ccc(N)c(S(O)(=O)=O)c1
Threshold=10%,
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 >= -3.46
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.0235
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
- Additional information:
Skin sensitization
In different studies, 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) has been investigated for potential of skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pig and human for target chemical 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) and its structurally similar read across substances2,4-diaminoanisole sulphate(39156-41-7)and4-ethoxy-m-phenylenediamine (5862-77-1) the predicted data using the OECD QSAR toolbox has also been compared with the experimental data of read across.
The skin sensitization potential of 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances of 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) was predicted to be not sensitizing to the skin of female Pirbright-Hartley guinea pig.
The experimental study conducted by DFG, German Research Foundation (The MAK Collection for Occupational Health and Safety, volume 6 Page No 149, 1985) to evaluate the skin sensitizing potential of 2,4-diaminoanisole sulphate(39156-41-7) in guinea pig . The skin sensitizing study of 2,4-diaminoanisole sulphate(39156-41-7) was carried out in guinea pig by Magnusson and Kligman method in group of 10.Test material dissolved in water .intradermal induction was given as both undiluted and diluted 1:1 with Freund's adjuvant and5 % w/v water solution of test compound on interscapular area. While epicutaneous induction0.4 ml of a 50 % (w/v) aqueous solutionof test material on same skin site (clipped free of fur) on an occlusive patch after 7 days. An interval of 14 days animals were challenged by25 % (w/v) solution of test material by topical application under occlusive patch on left flank.After one week second challenged given at dose5 % test material solution on right flank. Delayed contact hypersensitivity was seen in one animal. After the first challenge treatment, equivocal reactions were observed in two animals. Therefore, based on the results obtained, the2,4-diaminoanisole sulphate(39156-41-7)was considered to be not sensitizing to guinea pig.
Also it is further supported by experimental study conducted by European Commission (Ec) - Scientific Committee on Cosmetology (Scc) (Reports of the Scientific Committee on Cosmetology (Ninth Series), Page No 19, 2000) to evaluate the skin sensitizing potential of read across substance 4-ethoxy-m-phenylenediamine (5862-77-1) in guinea pig . The skin sensitizing study of 4-ethoxy-m-phenylenediamine was carried out in guinea pig in group of 10.Test material dissolved in water .intradermal induction was given by three pairs simultaneously intradermal injections of Freund’s complete adjuvant (FCA, 1:1 in water), 0.1 % water solution of test compound and a 1:1 mixture of the above solution in shoulder area. After 7 days 0.4 ml of a 50 % suspension of test substance in Paraffin perliquidum was topically applied in a filter paper, under occlusion, on the same area for 48 hours An interval of 14 days animals were challenged by 0.1 ml of a 10 % water solution of test material by topical application under occlusive patch for 48 hours on left flank. Cutaneous reactions were evaluated at 24, 48, 72 hours. After challenge no skin reactions were observed 8 out of 9(It has been reported that one animal died from lung infection).Therefore, based on the results obtained, the 4-ethoxy-m-phenylenediamine (5862-77-1) was considered to be not sensitizing to guinea pig.
Thus based on the above predictions on 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) as well as its read across and applying weight of evidence, it can be concluded that 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) is not a skin sensitizer. Thus comparing the above studies with the criteria of CLP regulation, 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) can be considered as not classified for skin sensitization.
Justification for classification or non-classification
Thus comparing the above studies with the criteria of CLP regulation, 2-amino-5-acetamidobenzene-1-sulfonic acid (96-78-6) can be considered as not classified for skin sensitization.
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