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EC number: 279-900-2 | CAS number: 82104-74-3
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: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for LD50 read across evaluation for 82104-74-3
- Author:
- Sustainibility Support Service (Europe) AB
- 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)
- GLP compliance:
- not specified
- Test type:
- standard acute method
Test material
- Reference substance name:
- 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- EC Number:
- 279-900-2
- EC Name:
- 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- Cas Number:
- 82104-74-3
- Molecular formula:
- C9H5NO2
- IUPAC Name:
- 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- Reference substance name:
- 1,3-dihydro-1-oxo1sobenzofurane-5carbonitrile
- IUPAC Name:
- 1,3-dihydro-1-oxo1sobenzofurane-5carbonitrile
- Details on test material:
- - Name of test material: 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- Molecular formula: C9H5NO2
- Substance type: Organic
- Physical state: Solid
- SMILES:C1(=O)c2c(cc(C#N)cc2)CO1
Constituent 1
Constituent 2
Test animals
- Species:
- other: Rattus norvegicus
- Sex:
- male/female
Administration / exposure
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Control animals:
- not specified
Results and discussion
Effect levels
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2 172.98 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(=O)c2c(cc(C#N)cc2)CO1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0.244
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 0.719
Applicant's summary and conclusion
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Acute oral toxicity (LD50 value) of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was examined for 6 hours in male/female Rattus norvegicus species at the dose concentration of 2172.98 mg/kg. This value suggest that the chemical 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is non toxic to organism Rattus norvegicus by oral route.
- Executive summary:
Acute oral toxicity (LD50 value) of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was examined for 6 hours in male/female Rattus norvegicus species at the dose concentration of 2172.98 mg/kg. This value suggest that the chemical 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is non toxic to organism Rattus norvegicus by oral route.
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