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EC number: 257-269-4 | CAS number: 51548-48-2
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
The test compound (5-Or8)aminonaphthalene-2-sulphonic acid is not likely to be a gene mutant in vitro.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in mammalian cells
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from prediction database
- Justification for type of information:
- Data is from prediction database
- 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
- Specific details on test material used for the study:
- - Name of test material: (5-Or8)aminonaphthalene-2-sulphonic acid
- Molecular formula: C10H9NO3S
- Molecular weight: 223.2511 g/mol
- Smiles notation: c1cc2cc(ccc2c(c1)N)S(=O)(=O)O
- Substance type: Organic - Species / strain / cell type:
- S. typhimurium TA 100
- Details on mammalian cell type (if applicable):
- no data
- Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- with
- Metabolic activation system:
- S9 activation 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:
- No data
- 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 (5-Or8)aminonaphthalene-2-sulphonic acid failed to induce mutation in Salmonella typihimurium strain TA100 with S9 activation system and hence is not likely to be a mutagenic in vitro.
- Executive summary:
Gene mutation was predicted for the test chemical (5-Or8)aminonaphthalene-2-sulphonic acid using SSS QSAR prediction databse, 2016. The test assumed the use of Salmonella typihimurium strain TA100 with S9 activation system. The test compound (5-Or8)aminonaphthalene-2-sulphonic acid failed to induce mutation in Salmonella typihimurium strain TA100 with S9 activation system and hence is not likely to be a mutagenic in vitro.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes highest mode 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") and("r"
and "s") )
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 Fused
carbocyclic aromatic AND Naphtalene AND Sulfonic acid by Organic
Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Aniline AND Fused carbocyclic
aromatic AND Naphtalene 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 Aromatic Carbon [C] 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 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 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 SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Primary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary:The
target chemical should be classified as 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 >> 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 ketones OR Michael addition >> Quinones and Quinone-type
Chemicals OR Michael addition >> Quinones and Quinone-type Chemicals >>
Quinones OR No alert found OR SN1 >> Carbenium Ion Formation OR SN1 >>
Carbenium Ion Formation >> Hydrazine OR SN1 >> Carbenium Ion Formation
>> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1
OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >>
Aliphatic tertiary amines 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 >> 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 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
Moderate binder, OH grooup OR Non binder, MW>500 OR Strong binder, OH
group OR Weak binder, NH2 group OR Weak binder, OH 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 >> Substituted Anilines by Protein binding by OASIS
v1.4
Domain
logical expression index: "k"
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 >> Acylation
involving an activated (glucuronidated) ester group OR Acylation >>
Acylation involving an activated (glucuronidated) ester group >>
Arenecarboxylic Acid Esters OR Acylation >> Acylation involving an
activated (glucuronidated) sulfonamide group OR Acylation >> Acylation
involving an activated (glucuronidated) sulfonamide group >>
Arenesulfonamides OR Acylation >> Direct acylation involving a leaving
group OR Acylation >> Direct acylation involving a leaving group >>
Carboxylic Acid Amides OR Acylation >> Direct acylation involving a
leaving group >> N-Carbonylsulfonamides OR Acylation >> Ester aminolysis
OR Acylation >> Ester aminolysis >> Amides 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-type addition to quinoid structures >> Carboxylic Acid
Amides OR AN2 >> Michael-type addition to quinoid structures >>
N-Substituted Aromatic Amines OR AN2 >> Nucleophilic addition at
polarized N-functional double bond OR AN2 >> Nucleophilic addition at
polarized N-functional double bond >> Arenesulfonamides OR AN2 >>
Nucleophilic addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles (hypothesized) OR AN2 >> Nucleophilic addition to
pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles
(hypothesized) >> Heterocyclic Aromatic Amines OR 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 OR Radical reactions OR Radical reactions >> ROS
generation and direct attack of hydroxyl radical to the C8 position of
nucleoside base OR Radical reactions >> ROS generation and direct attack
of hydroxyl radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines OR SE reaction (CYP450-activated
heterocyclic amines) OR SE reaction (CYP450-activated heterocyclic
amines) >> Direct attack of arylnitrenium cation to the C8 position of
nucleoside base OR SE reaction (CYP450-activated heterocyclic amines)
>> Direct attack of arylnitrenium cation to the C8 position of
nucleoside base >> Heterocyclic Aromatic Amines OR SN2 OR SN2 >>
Nucleophilic substitution at sp3 carbon atom OR SN2 >> Nucleophilic
substitution at sp3 carbon atom >> (Thio)Phosphates OR SN2 >> SN2
Reaction at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3 carbon
atom >> Activated alkyl esters and thioesters OR SR reaction
(peroxidase-activated heterocyclic amines) OR SR reaction
(peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base OR SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines by Protein binding by OASIS v1.4
Domain
logical expression index: "l"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "m"
Referential
boundary:The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates by Protein binding by OECD
Domain
logical expression index: "n"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v.1.2
Domain
logical expression index: "o"
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 >> Substituted Anilines by Protein binding alerts for
Chromosomal aberration by OASIS v.1.2
Domain
logical expression index: "p"
Referential
boundary:The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "q"
Similarity
boundary:Target:
Nc1cccc2cc(S(O)(=O)=O)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 >= -2.69
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.773
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Additional information from genetic toxicity in vitro:
Gene mutation in vitro:
Prediction model based estimation and data from read across have been summarized to determine the mutagenic nature of the test compound (5-Or8)aminonaphthalene-2-sulphonic acid (CAS no 51548 -48 -2):
Gene mutation was predicted for the test chemical (5-Or8)aminonaphthalene-2-sulphonic acid (CAS no 51548 -48 -2) using SSS QSAR prediction databse, 2016. The test assumed the use of Salmonella typihimurium strain TA100 with S9 activation system. The test compound (5-Or8)aminonaphthalene-2-sulphonic acid failed to induce mutation in Salmonella typihimurium strain TA100 with S9 activation system and hence is not likely to be a mutagenic in vitro.
Gene mutation was predicted for the test chemical (5-Or8)aminonaphthalene-2-sulphonic acid (CAS no 51548 -48 -2) using SSS QSAR prediction databse, 2016. The test assumed the use of Salmonella typihimurium strain TA102 with S9 activation system. The test compound (5-Or8)aminonaphthalene-2-sulphonic acid failed to induce mutation in Salmonella typihimurium strain TA102 with S9 activation system and hence is not likely to be a mutagenic in vitro.
Gene mutation was predicted for the test chemical (5-Or8)aminonaphthalene-2-sulphonic acid (CAS no 51548 -48 -2) using SSS QSAR prediction databse, 2016. The test assumed the use of Salmonella typihimurium strain TA1535 without S9 activation system. The test compound (5-Or8)aminonaphthalene-2-sulphonic acid failed to induce mutation in Salmonella typihimurium strain TA1535 without S9 activation system and hence is not likely to be a mutagenic in vitro.
Gene mutation toxicity study was performed by Chung et al (1981) to evaluate the mutagenic response for the test chemical sodium 4-aminonaphthalene-1-sulphonate (RA CAS no 130 -13 -2). The study was performed using Salmonella typhimurium strains TA1537, TA1538, TA98,or TA100 with and without S9 metabolic activation system at dose levels of 5, 10, 25, 50, 100, 250, 500, 1000, 2500, 5000 µg.
Maximum nontoxic dose of test substance sodium 4-aminonaphthalene-1-sulphonate was tested that was nonmutagenic TA1537, TA1538, TA98,or TA100 with and without male rat Aroclor S9 mix. Thus, the test compound is not likely to be gene mutant in vitro.
Ames assay of genetic toxicity study was perfomed by Jung et al (1992) using Salmonella typhimurium being treated with 2-aminonaphthalene-6-sulphonic acid (RA CAS no 93 -00 -5).The test was performed in the presence of Aroclor-induced rat liver microsomalS-9cell fraction to observe the mutagenic effect of 6-aminonaphthalene-2-sulphonic acid. Non-mutagenic effects were found with S 9 metabollic activation toSalmonella typhimurium when treated with 6-aminonaphthalene-2-sulphonic acid. Hence is the test chemical is not likely to be a gene mutant in vitro.
Based on the weight of evidence data summarized, the test chemical (5-Or8)aminonaphthalene-2-sulphonic acid is not likely to be 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 (5-Or8)aminonaphthalene-2-sulphonic acid is not likely to be a gene mutant in vitro.
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