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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
Description of key information
(5or8)-aminonaphthalene-2-sulphonic acid is not toxic by oral route.
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:
- other: Data is from QSAR Toolbox 3.4.
- Justification for type of information:
- Data is from QSAR Toolbox 3.4.
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Test type:
- other: Estimated data from QSAR
- Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Details on oral exposure:
- No data available
- Doses:
- No data available
- No. of animals per sex per dose:
- No data available
- Control animals:
- not specified
- Details on study design:
- No data available
- Statistics:
- No data available
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 8 645.741 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- 50 % mortality observed
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- other: not classified
- Conclusions:
- Estimated LD50 was considered to be 8645.7 mg/kg bw when rats were treated with (5or8)-aminonaphthalene-2-sulphonic acid orally.
- Executive summary:
Acute oral toxicity was estimated by using QSAR Toolbox 3.4 in rats treeated wtih (5or8)-aminonaphthalene-2-sulphonic acid orally. 50 % mortality was obtained at 8645.7 mg/kg bw. Therefore, estimated LD50 was considered to be 8645.7 mg/kg bw when rats were treated with (5or8)-aminonaphthalene-2-sulphonic acid orally.
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") and("f"
and(not
"g")) ) and("h"
and(not
"i")) ) and
"j") and("k"
and(not
"l")) ) and
"m") and("n"
and "o") )
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 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: "g"
Referential
boundary:The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes OR AN2 >> Nucleophilic
addition reaction with cycloisomerization OR AN2 >> Nucleophilic
addition reaction with cycloisomerization >> Hydrazine Derivatives OR
AN2 >> Schiff base formation by aldehyde formed after metabolic
activation OR AN2 >> Schiff base formation by aldehyde formed after
metabolic activation >> Geminal Polyhaloalkane Derivatives OR No alert
found OR Non-covalent interaction >> DNA intercalation >> Amino
Anthraquinones OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide and Aminoalkylamine Side Chain OR
Non-covalent interaction >> DNA intercalation >> Polycyclic Aromatic
Hydrocarbon and Naphthalenediimide Derivatives OR Non-covalent
interaction >> DNA intercalation >> Quinolone Derivatives OR
Non-covalent interaction >> DNA intercalation >> Quinones and
Trihydroxybenzenes OR Non-specific OR Non-specific >> Incorporation into
DNA/RNA, due to structural analogy with nucleoside bases OR
Non-specific >> Incorporation into DNA/RNA, due to structural analogy
with nucleoside bases >> Specific Imine and Thione Derivatives OR
Radical >> Generation of ROS by glutathione depletion (indirect) OR
Radical >> Generation of ROS by glutathione depletion (indirect) >>
Haloalkanes Containing Heteroatom OR Radical >> Radical mechanism via
ROS formation (indirect) >> Amino Anthraquinones OR Radical >> Radical
mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> Hydrazine Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitroaniline Derivatives OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitroarenes with Other Active
Groups OR Radical >> Radical mechanism via ROS formation (indirect) >>
Nitrobiphenyls and Bridged Nitrobiphenyls OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitrophenols, Nitrophenyl
Ethers and Nitrobenzoic Acids OR Radical >> Radical mechanism via ROS
formation (indirect) >> p-Aminobiphenyl Analogs OR Radical >> Radical
mechanism via ROS formation (indirect) >> Polynitroarenes OR Radical >>
Radical mechanism via ROS formation (indirect) >> Quinones and
Trihydroxybenzenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Single-Ring Substituted Primary Aromatic Amines OR Radical
>> Radical mechanism via ROS formation (indirect) >> Specific Imine and
Thione Derivatives OR SN1 >> Alkylation after metabolically formed
carbenium ion species OR SN1 >> Alkylation after metabolically formed
carbenium ion species >> Polycyclic Aromatic Hydrocarbon and
Naphthalenediimide Derivatives OR SN1 >> Carbenium ion formation OR SN1
>> Carbenium ion formation >> Alpha-Haloethers OR SN1 >> Nucleophilic
attack after diazonium or carbenium ion formation OR SN1 >> Nucleophilic
attack after diazonium or carbenium ion formation >> Nitroarenes with
Other Active Groups OR SN1 >> Nucleophilic attack after metabolic
nitrenium ion formation >> Amino Anthraquinones OR SN1 >> Nucleophilic
attack after nitrenium ion formation OR SN1 >> Nucleophilic attack after
nitrenium ion formation >> p-Aminobiphenyl Analogs OR SN1 >>
Nucleophilic attack after nitrenium ion formation >> Single-Ring
Substituted Primary Aromatic Amines OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Nitroaniline Derivatives
OR SN1 >> Nucleophilic attack after reduction and nitrenium ion
formation >> Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation >> Nitrobiphenyls and
Bridged Nitrobiphenyls OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> Polynitroarenes OR SN1 >> Nucleophilic
substitution on diazonium ion OR SN1 >> Nucleophilic substitution on
diazonium ion >> Specific Imine and Thione Derivatives OR SN2 OR SN2 >>
Acylation involving a leaving group after metabolic activation OR SN2 >>
Acylation involving a leaving group after metabolic activation >>
Geminal Polyhaloalkane Derivatives OR SN2 >> Alkylation OR SN2 >>
Alkylation >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates
OR SN2 >> Alkylation, direct acting epoxides and related after
P450-mediated metabolic activation OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation >>
Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR
SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom OR SN2
>> Alkylation, nucleophilic substitution at sp3-carbon atom >>
Haloalkanes Containing Heteroatom OR SN2 >> Direct nucleophilic attack
on diazonium cation OR SN2 >> Direct nucleophilic attack on diazonium
cation >> Hydrazine Derivatives OR SN2 >> Nucleophilic substitution at
sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom
>> Haloalkanes Containing Heteroatom OR SN2 >> Nucleophilic substitution
at sp3 carbon atom after thiol (glutathione) conjugation OR SN2 >>
Nucleophilic substitution at sp3 carbon atom after thiol (glutathione)
conjugation >> Geminal Polyhaloalkane Derivatives OR SN2 >> SN2 at
sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers OR
SN2 >> SN2 attack on activated carbon Csp3 or Csp2 OR SN2 >> SN2 attack
on activated carbon Csp3 or Csp2 >> Nitroarenes with Other Active Groups
by DNA binding by OASIS v.1.4
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 Non binder, impaired OH or NH2
group OR Strong binder, OH group OR Weak binder, NH2 group by Estrogen
Receptor Binding
Domain
logical expression index: "j"
Referential
boundary:The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O AND Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "l"
Referential
boundary:The
target chemical should be classified as Group 17 - Halogens Cl OR Group
17 - Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "m"
Similarity
boundary:Target:
Nc1cccc2cc(S(O)(=O)=O)ccc12
Threshold=80%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.36
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.369
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 8 645.7 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from QSAR Toolbox 3.4
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:
Data available for target (5or8)-aminonaphthalene-2-sulphonic acid (CAS no 51548-48-2) and its read across 1-Naphthalenesulfonic acid, 5-amino- (CAS no 84-89-9), Naphthalene1, 3disulfonic acid, 6amino (CAS no 118-33-2) and 2-Naphthalenesulfonic acid, 5-amino- (CAS no 19-79-9) for acute oral toxicity are summarized as below
Based on the prediction done by using QSAR Toolbox 3.4 (2016), acute oral toxicity was estimated in rats by using (5or8)-aminonaphthalene-2-sulphonic acid orally. 50 % mortality was obtained at 8645.7 mg/kg bw. Therefore, estimated LD50 was considered to be 8645.7 mg/kg bw when rats were treated with (5or8)-aminonaphthalene-2-sulphonic acid orally.
Based on the prediction done by Danish (Q) SAR Database, rats treated with ((5or8)-aminonaphthalene-2-sulphonic acid in the concentration of 3700 mg/kg bw orally. 50 % mortality observed in rats. Therefore, estimated LD50 was considered to be 3700 mg/kg bw when rats were treated with ((5or8)-aminonaphthalene-2-sulphonic acid orally.
In a RTECS database (2016) for read across, acute oral toxicity was given in rats and mice treated with 1-Naphthalenesulfonic acid, 5-amino- in the concentration of 5000 mg/kg bw orally. No mortality observed in rats and mice. Therefore, LD50 was considered to be > 5000 mg/kg bw when rats and mice were treated with 1-Naphthalenesulfonic acid, 5-amino- orally.
In a RTECS database (2016) for read across, acute oral toxicity was given in rats treated with Naphthalene1, 3disulfonic acid, 6amino in the concentration of 2000 mg/kg bw orally. 50 % mortality observed in rats. Therefore, LD50 was considered to be 2000 mg/kg bw when rats were treated with 1-Naphthalenesulfonic acid, 5-amino- orally.
In a RTECS database (2016) for read across, acute oral toxicity was given in rats treated with 2-Naphthalenesulfonic acid, 5-amino- in the concentration of 14200 mg/kg bw orally. 50 % mortality observed in rats. Therefore, LD50 was considered to be 14200 mg/kg bw when rats were treated with 2-Naphthalenesulfonic acid, 5-amino- orally.
Thus, based on weight of evidence for
target (5or8)-aminonaphthalene-2-sulphonic acid (CAS no 51548-48-2) and
its read across 1-Naphthalenesulfonic acid, 5-amino- (CAS no 84-89-9),
Naphthalene1, 3disulfonic acid, 6amino (CAS no 118-33-2) and
2-Naphthalenesulfonic acid, 5-amino- (CAS no 19-79-9) is likely to be
non hazardous by oral route.
Justification for selection of acute toxicity – oral endpoint
estimated LD50 was considered to be 8645.7 mg/kg bw when rats were
treated with (5or8)-aminonaphthalene-2-sulphonic acid orally.
Justification for classification or non-classification
Based on weight of evidence for target (5or8)-aminonaphthalene-2-sulphonic acid (CAS no 51548-48-2) and its read across 1-Naphthalenesulfonic acid, 5-amino- (CAS no 84-89-9), Naphthalene1, 3disulfonic acid, 6amino (CAS no 118-33-2) and 2-Naphthalenesulfonic acid, 5-amino- (CAS no 19-79-9) is likely to be non hazardous by oral route.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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