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EC number: 205-080-2 | CAS number: 132-87-6
- 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
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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- 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 test material: 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid
- Molecular formula: C17 H13 N O5 S
- Molecular weight: 343.3577 g/mol
- Smiles notation: c1ccc(cc1)C(=O)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
- InChl: 1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
- Substance type: Organic
- Physical state: Solid - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- 126-166 mg/l CaCO3
- Test temperature:
- 20.0 ± 1°C
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 840.24 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The short term toxicity on aquatic invertebrates was predicted for 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6). EC50 value was estimated to be 840.24 mg/l for Daphnia magna for 48 hrs duration. Based on this value it can be considered that the 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6) can be non-toxic to aquatic environment and can be considered as not classified as per the CLP classification criteria.
- Executive summary:
Prediction based on the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6). EC50 value was estimated to be 840.24 mg/l for Daphnia magna for 48 hrs duration. Based on this value it can be considered that the 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6) is likely to be non-toxic to aquatic environment and can be considered as not classified as per the CLP classification criteria.
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" or "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" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
Side Chain by DNA binding by OASIS v.1.3
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Low reactive AND Low reactive >>
N-substituted aromatic amides by DPRA Cysteine peptide depletion
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Low reactive AND Low reactive >>
N-substituted aromatic amides by DPRA Lysine peptide depletion
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "f"
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: "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 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 >>
Benzylamines-Acylation OR Acylation >> P450 Mediated Activation to
Isocyanates or Isothiocyanates >> Formamides 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
>> Polarised Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated esters OR Michael
addition >> Quinones and Quinone-type Chemicals OR Michael addition >>
Quinones and Quinone-type Chemicals >> Quinones 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 >> Carbenium Ion
Formation OR SN1 >> Carbenium Ion Formation >> Alpha halo ethers
(including alpha halo thioethers) OR SN1 >> Carbenium Ion Formation >>
Hydrazine OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion
Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium Ion formation
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 >> Tertiary
aromatic amine OR SN2 OR SN2 >> P450 Mediated Epoxidation OR SN2 >> P450
Mediated Epoxidation >> Coumarins by DNA binding by OECD
Domain
logical expression index: "i"
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: "j"
Referential
boundary: The
target chemical should be classified as Acylation >> Direct Acylation
Involving a Leaving group >> Azlactone OR Acylation >> Isocyanates and
Related Chemicals OR Acylation >> Isocyanates and Related Chemicals >>
Thiocyanates-Acylation OR Michael addition OR Michael addition >>
Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised
alkene - ketones OR No alert found OR SN2 OR SN2 >> SN2 reaction at a
sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >>
Thiocyanates-SN2 OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2
reaction at sp3 carbon atom >> alpha-Halocarbonyls OR SN2 >> SN2
reaction at sp3 carbon atom >> Thiophosphates OR SNAr OR SNAr >>
Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic
substitution >> Activated halo-benzenes by Protein binding by OECD
Domain
logical expression index: "k"
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: "l"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> 3-Alken-2-ones (MA) OR Moderately reactive (GSH) OR
Moderately reactive (GSH) >> 2-Chloroacetamides (SN2) OR Moderately
reactive (GSH) >> 2-Vinyl carboxamides (MA) OR Moderately reactive (GSH)
>> Substituted 1-Alken-3-ones (MA) by Protein binding potency
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 Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Ac-SN2 OR Ac-SN2 >> Acylation
involving an activated (glucuronidated) carboxamide group OR Ac-SN2 >>
Acylation involving an activated (glucuronidated) carboxamide group >>
Carboxylic Acid Amines OR Ac-SN2 >> Direct acylation involving a leaving
group OR Ac-SN2 >> Direct acylation involving a leaving group >>
Carboxylic Acid Amines OR AN2 OR AN2 >> Michael-type addition to quinoid
structures OR AN2 >> Michael-type addition to quinoid structures >>
Carboxylic Acid Amines OR AN2 >> Michael-type addition to quinoid
structures >> Phenols by Protein binding alerts for Chromosomal
aberration by OASIS v1.1
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.0787
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.4
Description of key information
Prediction based on the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6). EC50 value was estimated to be 840.24 mg/l for Daphnia magna for 48 hrs duration. Based on this value it can be considered that the 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6) can be non-toxic to aquatic environment and can be considered as not classified as per the CLP classification criteria.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 840.24 mg/L
Additional information
Short term toxicity to aquatic invertebrates for 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6) was summaries with predicted data for target and by using functional read across studies as follows:
Prediction based on the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6). EC50 value was estimated to be 840.24 mg/l for Daphnia magna for 48 hrs duration.
Another prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 5207.131mg/l for 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid in 48 hrs.
Read across study for acetylsalicylic acid (50-78-2) from Ecotoxicology and Environmental Safety 59 (2004) 309–315 was performed in Daphnia magna following the European Guideline (Commission of the European Communities,1992). Daphnids were bred in ADaM, a culture medium imitating natural freshwater. Test was performed in 20 degree C with photoperiods of 16 h light/8 h dark. Young daphnids were used in 50 ml of culture volume, each treatment was subdivided in four replicates, each containing 5 daphnia and observed for 24 and 48 hrs. After the experiment the EC 50 value for short term toxicity to aquatic invertebrates for Acetylsalicylic acid (50-78-2) was determined to be 88.1 mg/l. As the Acetylsalicylic acid was considered to toxic to aquatic invertebrates but it is readily biodegradable in nature hence, the Acetylsalicylic acid (50-78-2) was considered to be not classified as per the CLP regulations.
Study was performed in daphnia magna for read across Azepan-2-one (Caprolactam) from J-check, 2010 using OECD guideline 202. The test was performed for 48 hrs and EC 50 value was determined. After 48 hrs, the EC 50 value for Azepan-2-one (Caprolactam) for short term toxicity to aquatic invertebrates was determined to be >1000 mg/l.
From the same references of J-check, 2010, study of another read across was performed in daphnia magna using OECD guideline 202. The test was performed for 48 hrs and EC 50 value was determined. After 48 hrs, the EC 50 value for Acetic acid ethenyl ester was determined to be 9.2 mg/l.Based on the value, the Acetic acid ethenyl ester was considered to be toxic to aquatic invertebrates but as it was readily biodegradable in nature hence can be considered as not classified as per the CLP regulations.
Based on the all the weight of evidences, it was considered that 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (132-87-6) was considered to be non-toxic to aquatic organism and can be considered to be not classified for toxicity to aquatic organism as per the CLP regulations.
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