Registration Dossier
Registration Dossier
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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 217-793-6 | CAS number: 1955-46-0
Repeated dose toxicity: inhalation
Administrative data
- Endpoint:
- sub-chronic toxicity: inhalation
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for "Effect LOEL" read across evaluation for 1955-46-0
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- On the basis of priciples of QSAR the prediction has been done as suggested by ECHA
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Methyl 5-nitrohydrogen.isophthalate
- EC Number:
- 217-793-6
- EC Name:
- Methyl 5-nitrohydrogen.isophthalate
- Cas Number:
- 1955-46-0
- Molecular formula:
- C9H7NO6
- IUPAC Name:
- 3-(methoxycarbonyl)-5-nitrobenzoic acid
- Details on test material:
- SMILES:C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: F344/N;no data;Wistar;F344
Results and discussion
Effect levels
- Dose descriptor:
- other: "Effect LOEL"
- Effect level:
- 52.639 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- not specified
- Remarks on result:
- other: no other details available
Target system / organ toxicity
- Critical effects observed:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: "effect LOEL"
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: C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -2.14
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.62
Applicant's summary and conclusion
- Conclusions:
- Repeated dose LOEL effect on rat for methyl 5-nitrohydrogen.isophthalate is found to 52.64 mg/kg/day
- Executive summary:
Repeated dose LOEL effect on rat for methyl 5-nitrohydrogen.isophthalate is found to 52.64 mg/kg/day
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