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EC number: 277-918-5 | CAS number: 74543-22-9
- 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
Description of key information
Acute oral toxicity:
LD50 was estimated to be 2517 mg/kg bw when Wistar male and female rats were orally exposed with sodium hydrogen 8-aminonaphthalene-1,6-disulfonate.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- 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 predicted using OECD QSAR toolbox version 3.4 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material: sodium hydrogen 8-aminonaphthalene-1,6-disulfonate
- Molecular formula: C10H8NNaO6S2
- Molecular weight: 325.2962 g/mol
- Smiles notation: c1cc2cc(cc(c2c(c1)S(=O)(=O)O)N)S(=O)(=O)[O-].[Na+]
- InChl: 1S/C10H9NO6S2.Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid - Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Details on oral exposure:
- not specified
- Doses:
- 2517 mg/kg bw
- No. of animals per sex per dose:
- 5
- Control animals:
- no
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2 517 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- not specified
- Clinical signs:
- not specified
- Body weight:
- not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- LD50 was estimated to be 2517 mg/kg bw when Wistar male and female rats were orally exposed with sodium hydrogen 8-aminonaphthalene-1,6-disulfonate.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate. The LD50 was estimated to be 2517 mg/kg bw when Wistar male and female rats were orally exposed with sodium hydrogen 8-aminonaphthalene-1,6-disulfonate.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
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 "j" )
and "k" )
and "l" )
and ("m"
and (
not "n")
)
)
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Naphthalene sulfonic acids,
condensates by OECD HPV Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "c"
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: "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 Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) AND Salt by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Amine AND Anion AND Aromatic
compound AND Cation 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: "h"
Referential
boundary: The
target chemical should be classified as 1,2-aminoalcohol OR 1,2-diol OR
Acetal OR Alcohol OR Alkyl chloride OR Alkyl fluoride OR Alkyl halide OR
Alkylarylether OR Aryl bromide OR Aryl chloride OR Aryl fluoride OR Aryl
halide OR Aryl iodide OR Azo compound OR Carbamic acid ester (uretane)
OR Carbamic acid halide OR Carbonic acid derivative OR Carbonic acid
diester OR Carbonyl compound OR Carboxylic acid OR Carboxylic acid amide
OR Carboxylic acid derivative OR Carboxylic acid ester OR Carboxylic
acid hydrazine OR Carboxylic acid prim. amide OR Carboxylic acid sec.
amide OR Carboxylic acid tert. amide OR CO2 derivative (general) OR
Dialkylether OR Diarylether OR Enolether OR Ether OR Halogen derivative
OR Heterocyclic compound OR Hydrazine derivative OR Hydrazone OR Hydroxy
compound OR Imine OR Ketone OR Lactone OR Nitrile OR Nitro compound OR
No functional group found OR Oxohetarene OR Phenol OR Phosphoric acid
derivative OR Phosphoric acid ester OR Primary alcohol OR Primary
aliphatic amine OR Secondary alcohol OR Secondary aliphatic amine OR
Secondary amine OR Secondary aromatic amine OR Secondary mixed amine
(aryl, alkyl) OR Sulfenic acid derivative OR Sulfonamide OR Sulfone OR
Sulfonic acid ester OR Sulfuric acid derivative OR Sulfuric acid
monoester OR Tertiary alcohol OR Tertiary aliphatic amine OR Tertiary
amine OR Tertiary aromatic amine OR Tertiary mixed amine OR Thiocarbonic
acid derivative OR Thiocyanate OR Thioether OR Thiophosphoric acid
derivative OR Thiophosphoric acid ester by Organic functional groups,
Norbert Haider (checkmol)
Domain
logical expression index: "i"
Similarity
boundary:Target:
Nc1cc(S(O)(=O)=O)cc2cccc(S(=O)(=O)O{-}.[Na]{+})c12
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "j"
Similarity
boundary:Target:
Nc1cc(S(O)(=O)=O)cc2cccc(S(=O)(=O)O{-}.[Na]{+})c12
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "k"
Similarity
boundary:Target:
Nc1cc(S(O)(=O)=O)cc2cccc(S(=O)(=O)O{-}.[Na]{+})c12
Threshold=80%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Similarity
boundary:Target:
Nc1cc(S(O)(=O)=O)cc2cccc(S(=O)(=O)O{-}.[Na]{+})c12
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Sulfonic
acids or their salts by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log BCF max which is >= 0.961
log(L/kg wet)
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log BCF max which is <= 0.963
log(L/kg wet)
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 517 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from OECD QSAR toolbox
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Acute oral toxicity:
In different studies, sodium hydrogen 8-aminonaphthalene-1,6-disulfonate has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in mice and rats for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate along with the study available on structurally similar read across substance 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid (CAs no 40306-75-0) and1,5-Naphthalenedisulfonic acid, 4-amino- (CAS no 117-55-5). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate. The LD50 was estimated to be 2517 mg/kg bw when Wistar male and female rats were orally exposed with sodium hydrogen 8-aminonaphthalene-1,6-disulfonate.
In another prediction done by SSS (2017) using the Danish QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for sodium hydrogen 8-aminonaphthalene-1,6-disulfonate. The LD50 was estimated to be 12000 mg/kg bw in rat and 10000 mg/kg bw in mice when orally exposed with sodium hydrogen 8-aminonaphthalene-1,6-disulfonate.
Further supported by experimental study conducted by Sustainability Support Services (Europe) AB (SSS sponsored lab, 2013) on structurally similar read across substance 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid (CAs no 40306-75-0), Wistar female rat were treated with -acetamido-5-amino-4-hydroxybenzenesulphonic acid in the concentration of 2000 mg/kg bw in two steps. No effect on survival, clinical sing and body weight of treated female rat were observed. In addition, no gross pathological changes were observed in treated female rat at 2000 mg/kg bw. Therefore, LD50 was considered to be> 2000 mg/kg bw when Wistar female rat were treated with -acetamido-5-amino-4-hydroxybenzenesulphonic acid orally.
This is further supported by experimental study summarized by U.S. National Library of Medicine (ChemIDplus A TOXNET Database Lite Browse Advanced, 2017) on structurally similar read across substance 1,5-Naphthalenedisulfonic acid, 4-amino- (CAS no 117-55-5),rat were treated with1,5-Naphthalenedisulfonic acid, 4-amino- in the concentration of 56000 mg/kg bw orally. 50 % mortality was observed at56000 mg/kg bw in treated rat.Impaired Liver Function Tests and Kidney, Ureter, and Bladder: Renal Function Tests Depressed in treated rats at56000 mg/kg bw. Therefore, LD50 was considered to be 56000 mg/kg bw when rat was treated with1,5-Naphthalenedisulfonic acid, 4-amino- orally.
Thus, based on the above studies and predictions on sodium hydrogen 8-aminonaphthalene-1,6-disulfonate and its read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, sodium hydrogen 8-aminonaphthalene-1,6-disulfonate can be classified as category V of acute oral toxicity.
Justification for classification or non-classification
Based on the above studies and predictions on sodium hydrogen 8-aminonaphthalene-1,6-disulfonate and its read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, sodium hydrogen 8-aminonaphthalene-1,6-disulfonate can be classified as category V of acute oral toxicity.
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