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EC number: 274-493-8 | CAS number: 70239-77-9
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Endpoint summary
Administrative data
Description of key information
Repeated dose toxicity: Oral
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose toxicity was predicted for 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid. The study assumed the use of male and female Crj: CD (SD) rats in a study for 28 days. Since no significant treatment related effects were observed at the mentioned dose level, hence the No Observed Adverse Effect Level (NOAEL) for 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid is predicted to be 435.833343506 mg/Kg bw/day.
Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Repeated dose toxicity: Inhalation
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid has very low vapor pressure (2.61E-022 Pa), so the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore this end point for repeated inhalation toxicity was considered for waiver
Repeated dose toxicity: Dermal
The acute dermal toxicity value for4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid(as provided in section 7.2.3) is >2000 mg/kg body weight. The substance was also found to be not irritating and not sensitizing to the skin. Based on these considerations, the end point for repeated dermal toxicity is considered as waiver.
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose 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 from OECD QSAR Toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3, 2017
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid
- IUPAc name: 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid
- Molecular formula: C17H14N2O8S2
- Molecular weight: 438.4356 g/mol
- Smiles notation: c1cc(cc(c1)N)C(=O)Nc2ccc(c3c2c(cc(c3)S(=O)(=O)O)O)S(=O)(=O)O
-InChl:1S/C17H14N2O8S2/c18-10-3-1-2-9(6-10)17(21)19-13-4-5-15(29(25,26)27)12-7-11(28(22,23)24)8-14(20)16(12)13/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)
- Substance type: Organic - Species:
- rat
- Strain:
- Crj: CD(SD)
- Details on species / strain selection:
- No data
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data
- Route of administration:
- oral: gavage
- Details on route of administration:
- No data
- Vehicle:
- not specified
- Details on oral exposure:
- No data
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- No data
- Duration of treatment / exposure:
- 28 days
- Frequency of treatment:
- No data
- No. of animals per sex per dose:
- No data
- Control animals:
- not specified
- Details on study design:
- No data
- Positive control:
- No data
- Observations and examinations performed and frequency:
- No data
- Sacrifice and pathology:
- No data
- Other examinations:
- No data
- Statistics:
- No data
- Clinical signs:
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Immunological findings:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Neuropathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
- Details on results:
- No data
- Dose descriptor:
- NOAEL
- Effect level:
- 435.833 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: No significant alterations were noted at the mentioned dose level
- Critical effects observed:
- not specified
- Conclusions:
- The No Observed Adverse Effect Level (NOAEL) for 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid is predicted to be 435.833343506 mg/Kg bw/day.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose toxicity was predicted for 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid. The study assumed the use of male and female Crj: CD (SD) rats in a study for 28 days. Since no significant treatment related effects were observed at the mentioned dose level, hence the No Observed Adverse Effect Level (NOAEL) for 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid is predicted to be 435.833343506 mg/Kg bw/day.
Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
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" or "g" or "h" )
and ("i"
and (
not "j")
)
)
and "k" )
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and (
not "w")
)
)
and ("x"
and (
not "y")
)
)
and ("z"
and "aa" )
)
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 >> DNA Intercalators with Carboxamide
Side Chain by DNA binding by OASIS v.1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Primary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group AND
Strong binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "f"
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: "g"
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: "h"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Amides AND
Anilines (Unhindered) AND Phenol Amines AND Phenols by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Acrylamides (Neurotoxicity) Rank
C OR Allyl esters (Hepatotoxicity) Rank A OR Anilines (Hemolytic anemia
with methemoglobinemia) Rank A OR Anilines (Hepatotoxicity) Rank C OR
Benzene/ Naphthalene sulfonic acids (Less susceptible) Rank C OR
Nitrobenzenes (Hemolytic anemia with methemoglobinemia) Rank A OR
Nitrobenzenes (Hepatotoxicity) Rank C OR o-/ p-Aminophenols (Hemolytic
anemia with methemoglobinemia) Rank B OR p-Aminophenols (Renal toxicity)
Rank B OR Thiocarbamates/Sulfides (Hepatotoxicity) No rank OR Valproic
acid (Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "l"
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: "m"
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 Ac-SN2 >> Ring opening acylation reaction OR
Ac-SN2 >> Ring opening acylation reaction >> Carboxylic acid Anhydrides
OR AN2 OR AN2 >> Michael addition to the quinoid type structures OR AN2
>> Michael addition to the quinoid type structures >> Substituted
Anilines OR AN2 >> Michael type addition to activated double bond of
pyrimidine bases OR AN2 >> Michael type addition to activated double
bond of pyrimidine bases >> Pyrimidines and Purines OR AN2 >>
Michael-type addition to quinoid structures OR AN2 >> Michael-type
addition to quinoid structures >> Carboxylic Acid Amines OR AN2 >> Shiff
base formation with carbonyl group of pyrimidine or purine bases OR AN2
>> Shiff base formation with carbonyl group of pyrimidine or purine
bases >> Pyrimidines and Purines by Protein binding alerts for
Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as No alert found by in vitro
mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aliphatic halogens OR
alpha,beta-unsaturated aliphatic alkoxy group OR alpha,beta-unsaturated
carbonyls OR Hydrazine OR Nitro-aromatic OR N-methylol derivatives OR
Primary aromatic amine,hydroxyl amine and its derived esters by in vitro
mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Pyrrolidones by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as No alert found by Respiratory
sensitisation
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Ring
opening acylation at a carbonyl OR Acylation >> Ring opening acylation
at a carbonyl >> Anhydrides OR Pro-Michael Addition OR Pro-Michael
Addition >> Pro-quinone and related OR Pro-Michael Addition >>
Pro-quinone and related >> Phenylenediamines by Respiratory sensitisation
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Phenols by
Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Esters including acrylic and
methacrylic esters by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Phenols by
Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Lactones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as No alert found by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Salicylates by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.36
Domain
logical expression index: "aa"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.0224
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 435.833 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- Data is from K2 prediction database
Repeated dose toxicity: inhalation - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose toxicity: Oral
Prediction model based estimation and data from read across chemicals have been reviewed to determine the toxic nature of
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid. The studies are as mentioned below:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose toxicity was predicted for 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid. The study assumed the use of male and female Crj: CD (SD) rats in a study for 28 days. Since no significant treatment related effects were observed at the mentioned dose level, hence the No Observed Adverse Effect Level (NOAEL) for 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid is predicted to be 435.833343506 mg/Kg bw/day.
The predicted data for the target chemical is further supported by the data from read across chemical as mentioned below:
In a Chronic repeated dose oral toxicity study mentioned in SCCP (2007), CD1 male and female mice were treated with 50 -60% structurally and functionally similar read across chemical D&C Red 33 (RA CAS no 3567 -66 -6; IUPAC name: disodium 5-amino-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate) in the concentration of 0, 150, 1500 and 7500 mg/kg bw/day orally in diet. Decrease in survival of male mice at week 57 and female mice at week 74 were observed as compared to control. Changes in colour of hair, skin and faeces were observed in treated mice as compared to control. Changes were considered to be not toxicologically significant because they are directly linked to the colour of the dye.Change in body weight and food consumption were observed in treated mice as compared to control. Anemia and elevated reticulocytes in week 74 were observed at 7500 mg/kg bw/day, anemia and a significant increase in reticulocytes at 18 and 24 month and increased leucocytes at 1500 mg/kg bw/day and increased leucocytes were observed at 150 mg/kg bw/day in treated female mice as compared to control. In addition, increased splenic weights and abnormal changes in kidneys and Pigments in the liver and spleen were observed at 7500 mg/kg bw/day treated mice as compared to control. Therefore, the No Observed Adverse Effect Level (NOAEL) was considered to be 150 mg/kg bw/day when male and female mice were treated with D&C Red 33 orally for 24 months.
Repeated dose toxicity: Inhalation
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid has very low vapor pressure (2.61E-022 Pa), so the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore this end point for repeated inhalation toxicity was considered for waiver
Repeated dose toxicity: Dermal
The acute dermal toxicity value for4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid(as provided in section 7.2.3) is >2000 mg/kg body weight. The substance was also found to be not irritating and not sensitizing to the skin. Based on these considerations, the end point for repeated dermal toxicity is considered as waiver.
Based on the data available for the target chemical and its read across data, 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid does not exhibit toxic nature upon repeated exposure by oral route. Hence it can be concluded that the substance is considered to be not toxic as per the criteria mentioned in CLP regulation.
Justification for classification or non-classification
Based on the data available for the target chemical and its read across data, 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid (CAS no 70239 -77 -9) does not exhibit toxic nature upon repeated exposure by oral route. Hence it can be concluded that the substance is considered to be not toxic as per the criteria mentioned in CLP regulation.
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Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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