Registration Dossier
Registration Dossier
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EC number: 212-602-2 | CAS number: 831-51-6
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-amino-2-hydroxy-5-nitrobenzoic acid
- EC Number:
- 212-602-2
- Cas Number:
- 831-51-6
- Molecular formula:
- C7H6N2O5
- IUPAC Name:
- 3-amino-2-hydroxy-5-nitrobenzoic acid
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
Effect levels
- Key result
- Dose descriptor:
- LD50
- Remarks:
- QSAR estimation
- Effect level:
- 3 400 mg/kg bw
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 5 nearest neighbours
Domain logical expression:Result: In Domain
((("a"
and "b" )
and "c" )
and ("d"
and "e" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) AND
Phenols (Acute toxicity) by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Similarity
boundary:Target:
Nc1cc(N(=O)=O)cc(C(O)=O)c1O
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "c"
Similarity
boundary:Target:
Nc1cc(N(=O)=O)cc(C(O)=O)c1O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.638
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.62
Applicant's summary and conclusion
- Interpretation of results:
- practically nontoxic
- Remarks:
- Migrated information
- Conclusions:
- Based on the analysis using OECD Toolbox, the LD50 of acute oral toxicity of the substance is predicted to be 3400 mg/kg bw.
- Executive summary:
Based on the analysis using OECD Toolbox, the LD50 of acute oral toxicity of the substance is predicted to be 3400 mg/kg bw.
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