Registration Dossier

Diss Factsheets

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:
2012
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

Constituent 1
Chemical structure
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
Constituent 2
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

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.

Categories Display