Registration Dossier
Registration Dossier
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EC number: 204-344-4 | CAS number: 119-70-0
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- [R]: 3.08E3 mg/kg bw; Estimation for LD50 for CAS 119-70-0
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR Toolbox version 3.1
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Guideline 401 (Acute Oral Toxicity)
- GLP compliance:
- no
- Test type:
- other: standard acute method
Test material
- Reference substance name:
- 5-amino-2-(p-aminoanilino)benzenesulphonic acid
- EC Number:
- 204-344-4
- EC Name:
- 5-amino-2-(p-aminoanilino)benzenesulphonic acid
- Cas Number:
- 119-70-0
- Molecular formula:
- C12H13N3O3S
- IUPAC Name:
- 5-amino-2-[(4-aminophenyl)amino]benzene-1-sulfonic acid
- Details on test material:
- SMILES:c1(Nc2ccc(N)cc2)c(S(=O)(=O)O)cc(N)cc1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: Wistar
- Sex:
- female
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- No. of animals per sex per dose:
- 6 (2 x 3 animals)
- Control animals:
- not specified
Results and discussion
Effect levels
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- 3 083.333 mg/kg bw
- Based on:
- test mat.
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a" and "b" ) and ("c" and ( not "d") ) ) and "e" ) and ("f" and ( not "g") ) ) and ("h" and ( not "i") ) ) and ("j" and "k" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(Nc2ccc(N)cc2)c(S(=O)(=O)O)cc(N)cc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "d"
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 by Protein binding by OECD
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original)
Domain logical expression index: "f"
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: "g"
Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr by Chemical elements
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Not categorized by OECD HPV Chemical Categories
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Alkyl sulfates OR Hydrotrope surfactants OR Primary amines OR Secondary amines by OECD HPV Chemical Categories
Domain logical expression index: "j"
Parametric boundary:The target chemical should have a value of log Kow which is >= -4.67
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is <= -2.08
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The acute oral median lethal dose (LD50) of 5-amino-2-(p-aminoanilino)benzenesulphonic acid in Rat (Wistar ) was estimated to be 3083.33mg/kg bw. This value indicates that 5-amino-2-(p-aminoanilino)benzenesulphonic acid does not exhibits acute toxicity by the oral route as per the criteria of the CLP regulation .
- Executive summary:
The acute oral median lethal dose (LD50) of 5-amino-2-(p-aminoanilino)benzenesulphonic acid in Rat (Wistar ) was estimated to be 3083.33mg/kg bw. This value indicates that 5-amino-2-(p-aminoanilino)benzenesulphonic acid does not exhibits acute toxicity by the oral route as per the criteria of the CLP regulation.
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