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EC number: 625-309-3 | CAS number: 6574-97-6
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
Three QSAR models were used to evaluate the Mutagenic potential of 2,3 -Dichlorobenzonitril.
As all three models returned a negative result 2,3 -Dichlorobenzontiril can be considered to be non mutagenic in the Ames-Test.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
VEGA package: VEGA_NIC_1.1.0_binaries
2. MODEL (incl. version number)
Mutagenicity (Ames test) model (CAESAR) 2.1.13
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N#Cc1cccc(c1Cl)Cl
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attachment
5. APPLICABILITY DOMAIN
see attachment
Reliability statement from VEGA package and additional inspection of similarity with analogues in the training set.
6. ADEQUACY OF THE RESULT
Predicted result for the endpoint “Mutagenicity” is negative, so no classification is needed. - Principles of method if other than guideline:
- see "justification for type of information"
- Key result
- Species / strain:
- not specified
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
VEGA package: VEGA_NIC_1.1.0_binaries
2. MODEL (incl. version number)
Mutagenicity (Ames test) model (KNN/Read-Across) 1.0.0
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N#Cc1cccc(c1Cl)Cl
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attachment
5. APPLICABILITY DOMAIN
see attachment
Reliability statement from VEGA package and additional inspection of similarity with analogues in the training set.
6. ADEQUACY OF THE RESULT
Predicted result for the endpoint “Mutagenicity” is negative, so no classification is needed. - Principles of method if other than guideline:
- see "justification for type of information"
- Key result
- Species / strain:
- not specified
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
VEGA package: VEGA_NIC_1.1.0_binaries
2. MODEL (incl. version number)
Mutagenicity (Ames test) model (SarPy/IRFMN) 1.0.7
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N#Cc1cccc(c1Cl)Cl
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attachment
5. APPLICABILITY DOMAIN
see attachment
Reliability statement from VEGA package and additional inspection of similarity with analogues in the training set.
6. ADEQUACY OF THE RESULT
Predicted result for the endpoint “Mutagenicity” is negative, so no classification is needed. - Principles of method if other than guideline:
- see "justification for type of information"
- Key result
- Species / strain:
- not specified
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Justification for classification or non-classification
Three QSAR models were used to evaluate the Mutagenic potential of 2,3 -Dichlorobenzonitril.
As all three models returned a negative result 2,3 -Dichlorobenzontiril can be considered to be non mutagenic in the Ames-Test, so no classification is needed.
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