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EC number: 220-293-0 | CAS number: 2706-28-7
- 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
acid yellow 9 was non toxic by oral route in rat.
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: Prediction is done using QSAR Toolbox version 3.4
- Justification for type of information:
- Prediction is done using QSAR Toolbox version 3.4
- Qualifier:
- according to guideline
- Guideline:
- other: Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Test type:
- other: estimated
- Species:
- rat
- Strain:
- Crj: CD(SD)
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data available
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Details on oral exposure:
- No data available
- Doses:
- 4813.4 mg/kg bw
- 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:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 4 813.4 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- 50 % mortality was observed in treated rats.
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Interpretation of results:
- other: not classified
- Conclusions:
- LD50 was estimated to be 4813.4 mg/kg bw when Crj: CD(SD) male and female rats were acid yellow 9 orally.
- Executive summary:
Acute oral toxicity was estimated using QSAR Toolbox 3.4 in Crj: CD(SD) male and female rats treated with acid yellow 9 in the concentration of 4813.4 mg/kg bw orally. 50 % mortality observed in treated rats. Therefore, LD50 was estimated to be 4813.4 mg/kg bw when Crj: CD(SD) male and female rats were acid yellow 9 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(not
"n")) ) and
"o") and("p"
and(not
"q")) ) and("r"
and(not
"s")) ) and("t"
and(not
"u")) ) and("v"
and "w") )
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 Azo AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Aniline AND Aryl AND Azo 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 Azo [-N=N-] AND Miscellaneous
sulfide (=S) or oxide (=O) 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)
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as Amine AND Anion AND Aromatic
compound AND Azo compound AND Cation AND Primary amine AND Primary
aromatic amine 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 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: "g"
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 >> Acylation involving an
activated (glucuronidated) sulfonamide group OR Acylation >> Acylation
involving an activated (glucuronidated) sulfonamide group >>
Arenesulfonamides 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 AN2 >> Michael addition to activated
double bonds OR AN2 >> Michael addition to activated double bonds >>
alpha,beta-Unsaturated Carbonyls and Related Compounds OR AN2 >> Michael
addition to activated double bonds in heterocyclic ring systems OR AN2
>> Michael addition to activated double bonds in heterocyclic ring
systems >> Pyrazolone and Pyrazolidine Derivatives 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 >>
N-Substituted Aromatic Amines OR AN2 >> Nucleophilic addition at
polarized N-functional double bond OR AN2 >> Nucleophilic addition at
polarized N-functional double bond >> Arenesulfonamides OR AN2 >> Schiff
base formation with carbonyl compounds (AN2) OR AN2 >> Schiff base
formation with carbonyl compounds (AN2) >> Pyrazolone and Pyrazolidine
Derivatives OR Michael addition OR Michael addition >> Michael addition
on polarised Alkenes OR Michael addition >> Michael addition on
polarised Alkenes >> Polarised Alkenes - sulfones 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
>> Aromatic carbonyl compounds OR Schiff base formation >> Schiff base
on pyrazolones and pyrazolidinones OR Schiff base formation >> Schiff
base on pyrazolones and pyrazolidinones >> Pyrazolones and
Pyrazolidinones OR SN2 OR SN2 >> Nucleophilic substitution at sp3 carbon
atom OR SN2 >> Nucleophilic substitution at sp3 carbon atom >>
alpha-Activated haloalkanes 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 by Protein binding by OASIS v1.4
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR SNAr OR SNAr >> Nucleophilic
aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >>
Activated halo-benzenes by Protein binding by OECD
Domain
logical expression index: "j"
Referential
boundary:The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (extension) ONLY
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Alkali Earth AND Non-Metals by
Groups of elements
Domain
logical expression index: "l"
Referential
boundary:The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "m"
Referential
boundary:The
target chemical should be classified as Group 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr AND 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: "n"
Referential
boundary:The
target chemical should be classified as Group 15 - Phosphorus P by
Chemical elements
Domain
logical expression index: "o"
Referential
boundary:The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "p"
Referential
boundary:The
target chemical should be classified as Stable form by Tautomers unstable
Domain
logical expression index: "q"
Referential
boundary:The
target chemical should be classified as Lactim form by Tautomers unstable
Domain
logical expression index: "r"
Referential
boundary:The
target chemical should be classified as No alert found by DNA alerts for
AMES by OASIS v.1.4
Domain
logical expression index: "s"
Referential
boundary:The
target chemical should be classified as Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Nitroaniline Derivatives OR Radical >>
Radical mechanism via ROS formation (indirect) >> Nitrophenols,
Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >> Radical
mechanism via ROS formation (indirect) >> Single-Ring Substituted
Primary Aromatic Amines OR SN1 OR SN1 >> Nucleophilic attack after
nitrenium ion formation 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 >> Nitrophenols, Nitrophenyl
Ethers and Nitrobenzoic Acids by DNA alerts for AMES by OASIS v.1.4
Domain
logical expression index: "t"
Referential
boundary:The
target chemical should be classified as No alert found by DNA alerts for
CA and MNT by OASIS v.1.1
Domain
logical expression index: "u"
Referential
boundary:The
target chemical should be classified as Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 OR SN1 >> Nucleophilic attack after nitrenium ion
formation OR SN1 >> Nucleophilic attack after nitrenium ion formation >>
Single-Ring Substituted Primary Aromatic Amines by DNA alerts for CA and
MNT by OASIS v.1.1
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.99
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -3
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 4 813.4 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 disodium 2-amino-5-[(4-sulphonatophenyl)azo]benzenesulphonate (CAS no 2706-28-7) and it’s read across 4' -diamino-2,2'stilbenedisulfonic acid (CAS no 7336-20-1) and Metanil yellow (CAS no 587-98-4) 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 Crj: CD(SD) male and female rats treated with acid yellow 9 in the concentration of 4813.4 mg/kg bw orally. 50 % mortality observed in treated rats. Therefore, LD50 was estimated to be 4813.4 mg/kg bw when Crj: CD(SD) male and female rats were acid yellow 9 orally.
In a ChemIDplus Toxnet Database (2016) for read across, acute oral toxicity was evaluated in rats treated with Metanil yellow in the concentration of 5000 mg/kg bw orally. 50 % mortality observed in treated rats. Therefore, LD50 was considered to be 5000 mg/kg bw when rats were treated with Metanil yellow orally.
In a study given in Chemicals Challenge Program (2005) for read across, acute oral toxicity was evaluated in Wistar male ratsby using ,4' -diamino-2,2'stilbenedisulfonic acid in the concentration of 5000 mg/kg bw orally by gavage and observed for 14 days. No mortality and signs of toxicity observed in treated male rats. Therefore, LD50 was considered to be > 5000 mg/kg bw when Wistar male rats were 4,4' -diamino-2,2'stilbenedisulfonic acid orally by gavage.
Thus, based on weight of evidence for for target disodium 2-amino-5-[(4-sulphonatophenyl)azo]benzenesulphonate (CAS no 2706-28-7) and it’s read across 4' -diamino-2,2'stilbenedisulfonic acid (CAS no 7336-20-1) and Metanil yellow (CAS no 587-98-4) for is likely to be non hazardous by oral route as per criteria of CLP classification
Justification for selection of acute toxicity – oral endpoint
LD50 was estimated to be 4813.4 mg/kg bw when Crj: CD(SD) male and female rats were acid yellow 9 orally.
Justification for classification or non-classification
Based on weight of evidence for for target disodium 2-amino-5-[(4-sulphonatophenyl)azo]benzenesulphonate (CAS no 2706-28-7) and it’s read across 4' -diamino-2,2'stilbenedisulfonic acid (CAS no 7336-20-1) and Metanil yellow (CAS no 587-98-4) for is likely to be non hazardous by oral route as per criteria of CLP classification
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