Registration Dossier
Registration Dossier
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EC number: 615-010-6 | CAS number: 697-73-4
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- genetic toxicity in vitro
- Type of information:
- (Q)SAR
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- other: The study results are disregarded as the substance is out of the Applicability Domain (AD) of the model.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- Mutagenicity (Ames test) model (CAESAR) 2.1.13
- Author:
- Laboratory of Environmental Chemistry and Toxicology of Mario Negri Institute of Pharmacological Research
- Bibliographic source:
- VegaNIC v.1.1.0 (Core version 1.2.0)
- Report date:
- 2015
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs R6, May 2008
- Principles of method if other than guideline:
- General model for estimating the mutagenicity.
Test material
- Reference substance name:
- 2-(chloromethyl)-1,3-difluorobenzene
- EC Number:
- 615-010-6
- Cas Number:
- 697-73-4
- Molecular formula:
- C7H5ClF2
- IUPAC Name:
- 2-(chloromethyl)-1,3-difluorobenzene
- Details on test material:
- SMILE: C1=CC(=C(C(=C1)F)CCl)F
InChI: InChI=1S/C7H5ClF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
Constituent 1
Results and discussion
Test results
- Genotoxicity:
- other: Suspect Mutagen
- Additional information on results:
- Model assessment:
Prediction is Suspect Mutagen, but the result is not reliable, as the following issues were observed:
- the predicted compound is outside the Applicability Domain of the model
- accuracy of prediction for similar molecules found in the training set is not adequate
- similar molecules found in the training set have experimental values that disagree with the predicted value.
The following relevant fragments have been found: SA8 Aliphatic halogens.
Details are provided in attachment on the section: "attached full study report".
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
other: Suspect Mutagen
The obtained results are disregarded as the substance is out of the Applicability Domain (AD) of the model.
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