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EC number: 201-989-3 | CAS number: 90-40-4
- 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
Toxicity to microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to microorganisms
- 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.3.4 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 3.4 with log kow as the primary discriptors.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of the test material: 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- IUPAC name: 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- Molecular formula: C10H9NO7S2
- Molecular weight: 319.3131 g/mol
- Substance type: Organic
- Smiles: c1c2cc(c(cc2c(cc1S(=O)(=O)O)O)N)S(=O)(=O)O
- Physical state: Solid (Light grey, to, Off-white) powder - Vehicle:
- no
- Test organisms (species):
- Tetrahymena pyriformis
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 823.09 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Growth
- Remarks on result:
- other: not toxic
- Conclusions:
- Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on micro-oragnisma predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Growth inhibiton concentration i.e IGC50 value estimated to be 823.09 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) likely to be not toxic to micRo-organism, 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 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on micro-oragnisma predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Growth inhibiton concentration i.e IGC50 value estimated to be 823.09 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) likely to be not toxic to micRo-organism, 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: IGC50
Estimation method: Takes average 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 "h" )
and ("i"
and "j" )
)
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 Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines
AND Radical AND Radical >> Radical mechanism via ROS formation
(indirect) AND Radical >> Radical mechanism via ROS formation (indirect)
>> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Fused-Ring Primary
Aromatic Amines by DNA binding by OASIS v.1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group OR
Strong binder, OH group by Estrogen Receptor Binding ONLY
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 >> Substituted Anilines by Protein binding by OASIS
v1.4
Domain
logical expression index: "e"
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: "f"
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 >> Direct acylation involving a
leaving group 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 AN2 >> Michael-type addition to quinoid structures >>
Carboxylic Acid Amides OR AN2 >> Michael-type addition to quinoid
structures >> Hydroxylated Phenols OR AN2 >> Michael-type addition to
quinoid structures >> Substituted Phenols OR AR OR AR >> Radical-type
addition to imino tautomer of aminoacridines OR AR >> Radical-type
addition to imino tautomer of aminoacridines >> Benzoquinoline and
Аcridine 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 >> Schiff base
formation with carbonyl compounds OR Schiff base formation >> Schiff
base formation with carbonyl compounds >> Aldehydes OR Schiff base
formation >> Schiff base formation with carbonyl compounds >> Aromatic
carbonyl compounds OR SN2 OR SN2 >> Nucleophilic substitution at sp3
carbon atom OR SN2 >> Nucleophilic substitution at sp3 carbon atom >>
alpha-Activated haloalkanes OR SN2 >> Nucleophilic substitution on
benzilyc carbon atom OR SN2 >> Nucleophilic substitution on benzilyc
carbon atom >> alpha-Activated benzyls OR SN2 >> Ring opening
nucleophilic substitution involving arene oxide derivatives and proteins
OR SN2 >> Ring opening nucleophilic substitution involving arene oxide
derivatives and proteins >> Benzoquinoline and Аcridine derivatives OR
SN2 >> SN2 Reaction at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3
carbon atom >> Activated alkyl esters and thioesters OR SNAr OR SNAr >>
Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds OR SNAr >> Nucleophilic aromatic substitution on activated
aryl and heteroaryl compounds >> Activated aryl and heteroaryl compounds
OR SNAr >> Nucleophilic substitution on activated Csp2-atoms in
quinolines OR SNAr >> Nucleophilic substitution on activated Csp2-atoms
in quinolines >> Benzoquinoline and Аcridine derivatives by Protein
binding by OASIS v1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.56
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.36
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on micro-oragnisma predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Growth inhibiton concentration i.e IGC50 value estimated to be 823.09 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) likely to be not toxic to micRo-organism, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
Key value for chemical safety assessment
- EC50 for microorganisms:
- 823.09 mg/L
Additional information
Following two studies for the target chemical and read across chemical includes predicted data from the OECD QSAR toolbox and experimental data to conclude the 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4 ) toxicity extent towards the aquatic invertebrate are summarized as below:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on micro-oragnisma predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Growth inhibiton concentration i.e IGC50 value estimated to be 823.09 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) likely to be not toxic to micRo-organism, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
The above predicted data is supported by the experimental study Sulphanilic acid (CAS: 121-57-3) from Chemosphere 1994, suggests that the effective concentration EC0 to bacteria is 10000 mg/l at 24h for Sulphanilic acid. It can be concluded form the value that the Sulphanilic acid is not toxic to the aquatic environment and can be considered as “not classified” as per CLP regulation.
Thus based on the effect concentrations which is in the range 823.09 mg/l to10000 mg/lgive the conclusion that test substance3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4)was likely to be non-toxic to micro-organism at environmentally relevant concentrations and can be considered to be “not classified” as per the CLP classification criteria.
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