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EC number: 202-058-4 | CAS number: 91-30-5
- 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
5-amino-2-anilinobenzenesulphonic acid (CAS no 91-30-5) is not likely to be hazardous by oral route of exposure.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Prediction is done using QSAR Toolbox version 3.4
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Test type:
- other: estimated data
- Specific details on test material used for the study:
- Name: 5-amino-2-anilinobenzenesulphonic acid
Molecular Formula: C12H12N2O3S
Molecular Weight: 264.304 g/mole
SMILES:Nc1ccc(Nc2ccccc2)c(S(O)(=O)=O)c1 - Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Details on oral exposure:
- not specified
- Doses:
- not specified
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 14 193 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- not determinable
- Mortality:
- No data available
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- Estimated LD50 was considered to be 14193 mg/kg bw when rats were treated with 5-amino-2-anilinobenzenesulphonic acid orally.
- Executive summary:
Acute oral toxicity was estimated usingQSAR Toolbox 3.4 (2016) in rats by using 5-amino-2-anilinobenzenesulphonic acid orally. 50 % mortality was observed at 14193 mg/kg bw in treated rats. Therefore, estimated LD50 was considered to be 14193 mg/kg bw when rats were treated with 5-amino-2-anilinobenzenesulphonic acid orally.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
Estimation method: Takes average value from the 5 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(not
"m")) ) and("n"
and(not
"o")) ) and("p"
and "q") )
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 Aniline AND Aryl AND Sulfonic
acid by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Aniline AND Aryl AND Overlapping
groups AND Sulfonic acid by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] AND Aliphatic Nitrogen, two aromatic attach [-N-] AND
Aromatic Carbon [C] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous
sulfide (=S) or oxide (=O) AND Nitrogen, two or tree olefinic attach
[>N-] AND Olefinic carbon [=CH- or =C<] 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: "e"
Referential
boundary:The
target chemical should be classified as Amine AND Aromatic compound AND
Primary amine AND Primary aromatic amine AND Secondary amine AND
Secondary aromatic amine AND Sulfonic acid AND Sulfonic acid derivative
by Organic functional groups, Norbert Haider (checkmol)
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 >> P450
Mediated Activation to Acyl Halides OR Acylation >> P450 Mediated
Activation to Acyl Halides >> 1,1-Dihaloalkanes OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Sulfonylureas OR Michael addition 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 >> Quinones and Quinone-type Chemicals OR Michael
addition >> Quinones and Quinone-type Chemicals >> Quinone-imines OR SN1
OR SN1 >> Carbenium Ion Formation OR SN1 >> Carbenium Ion Formation >>
Allyl benzenes 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 (unsaturated) heterocyclic amine OR SN1 >> Nitrenium Ion
formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion formation
>> Tertiary aromatic amine OR SN2 OR SN2 >> SN2 at an sp3 Carbon atom OR
SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "i"
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 Strong
binder, OH group OR Weak binder, NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary:The
target chemical should be classified as AN2 AND AN2 >> Michael-type
addition to quinoid structures AND AN2 >> Michael-type addition to
quinoid structures >> N-Substituted Aromatic Amines AND AN2 >>
Michael-type addition to quinoid structures >> Substituted Anilines by
Protein binding by OASIS v1.4
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Michael addition OR Michael
addition >> Michael addition on conjugated systems with electron
withdrawing group OR Michael addition >> Michael addition on conjugated
systems with electron withdrawing group >> Activated electrophilic
ethenylarenes by Protein binding by OASIS v1.4
Domain
logical expression index: "l"
Referential
boundary:The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "m"
Referential
boundary:The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "n"
Referential
boundary:The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "o"
Referential
boundary:The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.85
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.909
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 14 193 mg/kg bw
- Quality of whole database:
- Data is from QSAR Toolbox 3.4 (2016)
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Acute oral toxicity:
Based on the data available for target 5-amino-2-anilinobenzenesulphonic acid (CAS no 91-30-5) and its read across 2-Amino-8-hydroxynaphthalene-6-sulfonic acid (CAS no 90-51-7) and 4-Nitro-4ˈ- aminodiphenylamine- 2-sulfonic acid (CAS no 91-29-2) for acute oral toxicity is summarized below
Based on the prediction done by usingQSAR Toolbox 3.4 (2016), acute oral toxicity was estimated in rats by using 5-amino-2-anilinobenzenesulphonic acid orally. 50 % mortality was observed at 14193 mg/kg bw in treated rats. Therefore, estimated LD50 was considered to be 14193 mg/kg bw when rats were treated with 5-amino-2-anilinobenzenesulphonic acid orally.
In a REAXYS (2011) for read across,acute oral toxicity was given for rats by using 2-Amino-8-hydroxynaphthalene-6-sulfonic acid in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rats at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when rats were treated with 2-Amino-8-hydroxynaphthalene-6-sulfonic acid orally.
In a study given by BG Chemie (2000) for read across, acute oral toxicity was evaluated in Wistar male and female rats by using 4-Nitro-4ˈ- aminodiphenylamine- 2-sulfonic acid in the concentration of 5000 mg/kg bw orally by gavage in starch gruel and observed for 14 days. No effect on survival of treated male and female rats were observed at 5000 mg/kg bw. Motor hyperactivity, ruffled fur, crouch position, retracted flanks and widening of the palpebral fissure were observed on the day of administration and orange colour urine up to 3 days after administration were observed in treated rats were observed. No gross pathological changes were observed in treated rats. Therefore, LD50 was > 5000 mg/kg bw when Wistar male and female rats were treated with 4-Nitro-4ˈ- aminodiphenylamine- 2-sulfonic acid orally by gavage in starch gruel.
In a above similar reference for read across, acute oral toxicity was evaluated in SPF- Wistar male and female rats by using 4-Nitro-4ˈ- aminodiphenylamine- 2-sulfonic acid in the concentration of 5000 mg/kg bw orally by gavage in starch gruel and observed for 14 days. No effect on survival of treated male and female rats were observed at 5000 mg/kg bw. No signs of toxicity and change in body weight were observed in treated rats. Therefore, LD50 was > 5000 mg/kg bw when SPF- Wistar male and female rats were treated with 4-Nitro-4ˈ- aminodiphenylamine- 2-sulfonic acid orally by gavage in polyethylene glycol 400 per kg body weight.
Thus, base d on weight of evidence for target 5-amino-2-anilinobenzenesulphonic acid (CAS no 91-30-5) and its read across 2-Amino-8-hydroxynaphthalene-6-sulfonic acid (CAS no 90-51-7) and 4-Nitro-4ˈ- aminodiphenylamine- 2-sulfonic acid (CAS no 91-29-2) is not likely to be hazardous by oral route of exposure.
Justification for selection of acute toxicity – oral endpoint
estimated LD50 was considered to be 14193 mg/kg bw when rats were treated with 5-amino-2-anilinobenzenesulphonic acid orally.
Justification for classification or non-classification
Base d on weight of evidence for target 5-amino-2-anilinobenzenesulphonic acid (CAS no 91-30-5) and its read across 2-Amino-8-hydroxynaphthalene-6-sulfonic acid (CAS no 90-51-7) and 4-Nitro-4ˈ- aminodiphenylamine- 2-sulfonic acid (CAS no 91-29-2) is not likely to be hazardous by oral route of exposure.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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