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EC number: 238-906-5 | CAS number: 14846-08-3
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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 version.3.3 and QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Predicted data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- Name of the test chemical: sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate
Molecular Formula: C12H10N3NaO5S
Molecular Weight: 331.283 g/mol
Smiles Notation: c1cc(ccc1N)Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
Substance type: Organic
Physical State: Solid - Analytical monitoring:
- no
- Vehicle:
- no
- Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 144.63 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: not toxic
- Conclusions:
- Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on aquatic invertebrate predicted for sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3). Effect concentration i.e EC50 value estimated to be 144.63 mg/l for Daphnia magna for 48 hrs duration. It can be concluded that the sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3) likely to be not toxic to aquatic invertebrates, hence it can be considered to be “ Not Classified” as per the CLP classification criteria for aquatic environment.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on aquatic invertebrate predicted for sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3). Effect concentration i.e EC50 value estimated to be 144.63 mg/l for Daphnia magna for 48 hrs duration. It can be concluded that the sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3) likely to be not toxic to aquatic invertebrates, hence it can be considered to be “Not Classified” as per the CLP classification criteria for aquatic environment.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
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 "k" )
and ("l"
and "m" )
)
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 Amine OR Anion OR Aromatic
compound OR Cation OR Nitro compound OR Primary amine OR Primary
aromatic amine OR Secondary amine OR Secondary aromatic amine OR
Sulfonic acid derivative by Organic functional groups, Norbert Haider
(checkmol) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic
Carbon [C] OR Miscellaneous sulfide (=S) or oxide (=O) OR Nitro,
aromatic attach [-NO2] OR Nitrogen, two or tree olefinic attach [>N-] OR
Olefinic carbon [=CH- or =C<] OR Suflur {v+4} or {v+6} OR Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aryl OR Nitrobenzene OR
Overlapping groups OR Precursors quinoid compounds OR Sulfonic acid by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aniline OR Aryl OR Nitrobenzene
OR Precursors quinoid compounds OR Sulfonic acid by Organic Functional
groups ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> Vinyl pyridines OR Low reactive OR Low reactive >> alpha-alkyl
cinnamaldehyde derivatives OR Low reactive >> N-substituted aromatic
amides OR Low reactive >> Sulfanilic acid derivatives OR Moderate
reactive OR Moderate reactive >> Glycidyl ether epoxides by DPRA
Cysteine peptide depletion
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 Non
binder, non cyclic structure OR Non binder, without OH or NH2 group OR
Very 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 Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "k"
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 Miscellaneous sulfide (=S) or oxide (=O) AND
Nitro, aromatic attach [-NO2] AND Nitrogen, two or tree olefinic attach
[>N-] AND Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND
Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US
EPA) ONLY
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.36
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on aquatic invertebrate predicted for sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3). Effect concentration i.e EC50 value estimated to be 144.63 mg/l for Daphnia magna for 48 hrs duration. It can be concluded that the sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3) likely to be not toxic to aquatic invertebrates, hence it can be considered to be “ Not Classified” as per the CLP classification criteria for aquatic environment.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 144.63 mg/L
Additional information
Following four studies available for the target and read across chemical includes predicted data and experimental data to conclude tha extent of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3) toxicity towards aquatic invertebrate are summaried below:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on aquatic invertebrate predicted for sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3). Effect concentration i.e EC50 value estimated to be 144.63 mg/l for Daphnia magna for 48 hrs duration. It can be concluded that the sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3) likely to be not toxic to aquatic invertebrates, hence it can be considered to be “ Not Classified” as per the CLP classification criteria for aquatic environment.
Similar prediction is done by using the EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to aquatic invertebrate was predicted to be 47889.344 mg/l for sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate in 48 hrs. Based on the LC50 value, it can be concluded that the substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate as not toxic to aquatic environment.
The above predicted data is supported by the experimental data of read across chemical 1-nitropropane (CAS: 108-03-2T) from United States Environmental Protection Agency, suggests that the EC50 effective concentration of 1-nitropropane on Daphnia manga at 24 hr is 258 mg/l. It can be concluded that the 1-nitropropane is not toxic to aquatic environment.
Further it is supported by another experimantal result of read caross chemical Disodium 4,4'-diaminostilbene-2,2'-disulphonate(CAS: 7336-20-1) from United States Environmental Protection Agency indicates that the EC50 value for Daphnia magna is > 300 and < 500 mg/l when exposed to Disodium 4,4'-diaminostilbene-2,2'-disulphonate for 48 hr. It can be concluded from the value that the Disodium 4,4'-diaminostilbene-2,2'-disulphonate is not toxic to the aquatic environment.
Thus based on the on the effect concentrations which is in the range of 144.63 mg/l to 47889.344 mg/l gives the conclusion that test substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate (Cas no. 14846-08-3) was likely to be not toxic to aquatic invertebrate at environmentally relevant concentrations and can be considered to be“not classified”as per the CLP classification criteria.
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