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EC number: 204-320-3 | CAS number: 119-40-4
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
The test chemical is not likely to be a gene mutant in vitro.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- 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 3.3
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- no
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- - Name of test material: 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid- Molecular formula: C16H13NO4S- Molecular weight: 315.35 g/mol- Smiles notation: c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O- InChl: YGNDWDUEMICDLW-UHFFFAOYSA-N- Substance type: Organic- Physical state: Solid
- Target gene:
- Histidine
- Species / strain / cell type:
- S. typhimurium TA 100
- Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- with
- Metabolic activation system:
- S9 metabolic actvation system
- Test concentrations with justification for top dose:
- No data
- Vehicle / solvent:
- No data
- Untreated negative controls:
- not specified
- Negative solvent / vehicle controls:
- not specified
- True negative controls:
- not specified
- Positive controls:
- not specified
- Positive control substance:
- not specified
- Remarks:
- not specified
- Details on test system and experimental conditions:
- No data
- Rationale for test conditions:
- No data
- Evaluation criteria:
- Increase in the number of dose dependent revertants
- Statistics:
- No data
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Conclusions:
- The test compound 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid failed to induce mutation in the Salmonella typhimurium strain TA100 in the presence of S9 metabolic activation system and hence is not likely to classify as a gene mutant in vitro.
- Executive summary:
Gene mutation was predicted for the test compound 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid using SSS QSAR prediction database, 2016. The study assumed the use of Salmonella typhimurium strain TA100 with S9 metabolic activation system. The test compound 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid failed to induce mutation in the Salmonella typhimurium strain TA100 in the presence of S9 metabolic activation system and hence is not likely to classify as a gene mutant in vitro.
Reference
The prediction was based on dataset comprised from the following descriptors: "Gene mutation"
Estimation method: Takes highest mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a" or "b" or("c" or "d") ) and("e" and(not "f")) ) and("g" and(not "h")) ) and("i" and(not "j")) ) and("k" and(not "l")) ) and "m") and "n") and("o" and(not "p")) ) and "q") and("r" and "s") )
Domain logical expression index: "a"
Referential boundary:The target chemical should be classified as Strong binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "b"
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 Phenols by Protein binding by OASIS v1.4
Domain logical expression index: "c"
Referential boundary:The target chemical should be classified as Strong binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "d"
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 Phenols by Protein binding by OASIS v1.4
Domain logical expression index: "e"
Referential boundary:The target chemical should be classified as No alert found by DNA binding by OASIS v.1.4
Domain logical expression index: "f"
Referential boundary:The target chemical should be classified as AN2 OR AN2 >> Michael-type addition, quinoid structures OR AN2 >> Michael-type addition, quinoid structures >> Flavonoids OR AN2 >> Michael-type addition, quinoid structures >> Quinones and Trihydroxybenzenes OR AN2 >> Michael-type addition on alpha, beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered Lactones OR AN2 >> Nucleophilic addition reaction with cycloisomerization OR AN2 >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives OR AN2 >> Shiff base formation after aldehyde release OR AN2 >> Shiff base formation after aldehyde release >> Specific Acetate Esters OR Non-covalent interaction OR Non-covalent interaction >> DNA intercalation OR Non-covalent interaction >> DNA intercalation >> Acridone, Thioxanthone, Xanthone and Phenazine Derivatives OR Non-covalent interaction >> DNA intercalation >> Amino Anthraquinones OR Non-covalent interaction >> DNA intercalation >> Coumarins OR Non-covalent interaction >> DNA intercalation >> DNA Intercalators with Carboxamide and Aminoalkylamine Side Chain OR Non-covalent interaction >> DNA intercalation >> Fused-Ring Nitroaromatics OR Non-covalent interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines OR Non-covalent interaction >> DNA intercalation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR Non-covalent interaction >> DNA intercalation >> Quinones and Trihydroxybenzenes OR Non-specific OR Non-specific >> Incorporation into DNA/RNA, due to structural analogy with nucleoside bases OR Non-specific >> Incorporation into DNA/RNA, due to structural analogy with nucleoside bases >> Specific Imine and Thione Derivatives OR Radical OR Radical >> Radical mechanism by ROS formation OR Radical >> Radical mechanism by ROS formation >> Five-Membered Aromatic Nitroheterocycles OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Acridone, Thioxanthone, Xanthone and Phenazine Derivatives OR Radical >> Radical mechanism via ROS formation (indirect) >> Amino Anthraquinones OR Radical >> Radical mechanism via ROS formation (indirect) >> Conjugated Nitro Compounds OR Radical >> Radical mechanism via ROS formation (indirect) >> Coumarins OR Radical >> Radical mechanism via ROS formation (indirect) >> Flavonoids OR Radical >> Radical mechanism via ROS formation (indirect) >> Fused-Ring Nitroaromatics OR Radical >> Radical mechanism via ROS formation (indirect) >> Fused-Ring Primary Aromatic Amines OR Radical >> Radical mechanism via ROS formation (indirect) >> Hydrazine Derivatives OR Radical >> Radical mechanism via ROS formation (indirect) >> Nitro Azoarenes OR Radical >> Radical mechanism via ROS formation (indirect) >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >> Radical mechanism via ROS formation (indirect) >> p-Aminobiphenyl Analogs OR Radical >> Radical mechanism via ROS formation (indirect) >> Quinones and Trihydroxybenzenes OR Radical >> Radical mechanism via ROS formation (indirect) >> Specific Imine and Thione Derivatives OR Radical >> Radical mechanism via ROS formation (indirect) >> Thiols OR SN1 OR SN1 >> Alkylation after metabolically formed carbenium ion species OR SN1 >> Alkylation after metabolically formed carbenium ion species >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR SN1 >> Nucleophilic attack after carbenium ion formation OR SN1 >> Nucleophilic attack after carbenium ion formation >> N-Nitroso Compounds OR SN1 >> Nucleophilic attack after carbenium ion formation >> Specific Acetate Esters OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Amino Anthraquinones OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines OR SN1 >> Nucleophilic attack after nitrenium ion formation OR SN1 >> Nucleophilic attack after nitrenium ion formation >> p-Aminobiphenyl Analogs OR SN1 >> Nucleophilic attack after nitrosonium cation formation OR SN1 >> Nucleophilic attack after nitrosonium cation formation >> N-Nitroso Compounds OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Conjugated Nitro Compounds OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Fused-Ring Nitroaromatics OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Nitro Azoarenes OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR SN1 >> Nucleophilic substitution on diazonium ion OR SN1 >> Nucleophilic substitution on diazonium ion >> Specific Imine and Thione Derivatives OR SN2 OR SN2 >> Acylation OR SN2 >> Acylation >> Specific Acetate Esters OR SN2 >> Alkylation, direct acting epoxides and related OR SN2 >> Alkylation, direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR SN2 >> Alkylation, ring opening SN2 reaction OR SN2 >> Alkylation, ring opening SN2 reaction >> Four- and Five-Membered Lactones OR SN2 >> Direct acting epoxides formed after metabolic activation OR SN2 >> Direct acting epoxides formed after metabolic activation >> Coumarins OR SN2 >> Direct acting epoxides formed after metabolic activation >> Quinoline Derivatives OR SN2 >> Direct nucleophilic attack on diazonium cation OR SN2 >> Direct nucleophilic attack on diazonium cation >> Hydrazine Derivatives OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives by DNA binding by OASIS v.1.4
Domain logical expression index: "g"
Referential boundary:The target chemical should be classified as No alert found by DNA binding by OECD
Domain logical expression index: "h"
Referential boundary:The target chemical should be classified as 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 >> 5-alkoxyindoles 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 >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR Michael addition >> Polarised Alkenes-Michael addition OR Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters OR Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones 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 >> Aromatic phenylureas OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine by DNA binding by OECD
Domain logical expression index: "i"
Referential boundary:The target chemical should be classified as Strong binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "j"
Referential boundary:The target chemical should be classified as Moderate binder, OH grooup by Estrogen Receptor Binding
Domain logical expression index: "k"
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 Phenols by Protein binding by OASIS v1.4
Domain logical expression index: "l"
Referential boundary:The target chemical should be classified as Acylation OR Acylation >> Acylation involving an activated (glucuronidated) carboxamide group OR Acylation >> Acylation involving an activated (glucuronidated) carboxamide group >> Carboxylic Acid Amides OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Carbamates OR Acylation >> Direct acylation involving a leaving group >> Carboxylic Acid Amides OR Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated aryl esters OR Acylation >> Ester aminolysis or thiolysis >> Carbamates OR AN2 >> Michael addition to activated double bonds OR AN2 >> Michael addition to activated double bonds >> alpha,beta-Unsaturated Carbonyls and Related Compounds OR AN2 >> Michael addition to activated double bonds in heterocyclic ring systems OR AN2 >> Michael addition to activated double bonds in heterocyclic ring systems >> Pyrazolone and Pyrazolidine Derivatives OR AN2 >> Michael-type addition to quinoid structures >> Carboxylic Acid Amides OR AN2 >> Michael-type addition to quinoid structures >> Hydroxylated Phenols OR AN2 >> Schiff base formation with carbonyl compounds (AN2) OR AN2 >> Schiff base formation with carbonyl compounds (AN2) >> Pyrazolone and Pyrazolidine Derivatives OR No alert found OR Nucleophilic addition OR Nucleophilic addition >> Addition to carbon-hetero double bonds OR Nucleophilic addition >> Addition to carbon-hetero double bonds >> Ketones OR Schiff base formation OR Schiff base formation >> Direct acting Schiff base formers OR Schiff base formation >> Direct acting Schiff base formers >> 1,2-Dicarbonyls and 1,3-Dicarbonyls OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aromatic carbonyl compounds OR Schiff base formation >> Schiff base on pyrazolones and pyrazolidinones OR Schiff base formation >> Schiff base on pyrazolones and pyrazolidinones >> Pyrazolones and Pyrazolidinones by Protein binding by OASIS v1.4
Domain logical expression index: "m"
Referential boundary:The target chemical should be classified as No superfragment by Superfragments ONLY
Domain logical expression index: "n"
Referential boundary:The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY
Domain logical expression index: "o"
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 by Chemical elements
Domain logical expression index: "p"
Referential boundary:The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr OR Group 15 - Phosphorus P OR Group 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements
Domain logical expression index: "q"
Similarity boundary:Target: Oc1cc(S(O)(=O)=O)cc2cc(Nc3ccccc3)ccc12
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain logical expression index: "r"
Parametric boundary:The target chemical should have a value of log Kow which is >= -1.43
Domain logical expression index: "s"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.65
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Additional information from genetic toxicity in vitro:
Gene toxicity in vitro:
Prediction model based estimation and data from read across have been summarized below to determine the mutagenic nature of the test compound :
Gene mutation was predicted for the test compound 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid using SSS QSAR prediction database, 2016. The study assumed the use of Salmonella typhimurium strain TA100 with S9 metabolic activation system. The test compound 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid failed to induce mutation in the Salmonella typhimurium strain TA100 in the presence of S9 metabolic activation system and hence is not likely to classify as a gene mutant in vitro.
In another predition using SSS QSAR prediction model, 2016, Gene mutation was predicted for the test compound 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid. The study assumed the use of Salmonella typhimurium strain TA1535 without S9 metabolic activation system. The test compound 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid failed to induce mutation in the Salmonella typhimurium strain TA1535 in the absence of S9 metabolic activation system and hence is not likely to classify as a gene mutant in vitro.
In a study for RA CAS no 1248 -18 -6, Salmonella/mammalian microsome assay was performed by Brown et al (1979) to evaluate the mutagenic nature of the test compound D and C Red No. 10. The dye was dissolved in dimethylsulfoxide and up to 0.2 ml was introduced into 2.5 ml of the tempered top agar together with 0.1 ml Salmonella typhimurium broth suspension and 0.25 ml Aroclor 1254 induced rat liver S9. The mixtures was plated on 20 ml of Vogel-Bonner E bottom agar in the usual fashion and incubated for 3 days at 35°. Each agent was tested with all 5 basic tester strains (TA1535, TA100, TA1537, TA1538, TA98) with and without microsomal activation at concentrations of 0, 50, 100, 500 or 1000 µg/plate. The test compound D and C Red No. 10 failed to show any mutagenic activity in the Salmonella typhimurium tester strains with and without S9 metabolic activation system and hence is not likely to classify as a gene mutant in vitro.
Another study was performed by Zeiger et al (1972) for the test compound RA CAS no 93 -45 -8. Preincubation assay was performed to evaluate the mutagenic nature of the test compound 4-(2-Naphthylamino)phenol. The study was performed as described by Haworth et al 1983 with slight modification. The study involved the use of test chemical dose levels of 0.000, 0.300, 1.000, 3.000, 10.000, 33.000, 66.000, 100.000, 166.000, 333.000, 666.000 µg/plate and Salmonella typhimurium strains TA 100, TA1535, TA 1537, TA 97 and TA98 in the presence and absence of S9 metabolic activation system.The test compound4-(2-Naphthylamino)phenol failed to induce mutation in the Salmonella typhimurium tester strains and hence is not likely to classify for gene mutation in vitro.
Based on the weight of evidence data summarized, the test chemical 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid is not likely to classify as a gene mutant in vitro
Justification for selection of genetic toxicity endpoint
Data is from prediction database
Justification for classification or non-classification
Based on the weight of evidence data summarized, the test chemical 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid is not likely to classify as a gene mutant in vitro.
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