Registration Dossier
Registration Dossier
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EC number: 202-669-6 | CAS number: 98-44-2
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Pridicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction
- Author:
- Sustainability Support Services
- Year:
- 2 012
- Bibliographic source:
- QSAR toolbox Version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Principles of method if other than guideline:
- QSAR estimation
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-aminobenzene-1,4-disulphonic acid
- EC Number:
- 202-669-6
- EC Name:
- 2-aminobenzene-1,4-disulphonic acid
- Cas Number:
- 98-44-2
- Molecular formula:
- C6H7NO6S2
- IUPAC Name:
- 2-aminobenzene-1,4-disulphonic acid
- Details on test material:
- SMILES:c1(S(=O)(=O)O)c(N)cc(S(=O)(=O)O)cc1
Constituent 1
Test animals
- Species:
- other: Rattus norvegicus
Administration / exposure
- Route of administration:
- oral: unspecified
Results and discussion
Effect levels
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 2 196.434 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: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
("a" and ("b" and "c" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(S(=O)(=O)O)c(N)cc(S(=O)(=O)O)cc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -6.34
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= -0.463
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Executive summary:
2-aminobenzene-1,4-disulphonic acid do not have acute toxicity in oral category.
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