Registration Dossier
Registration Dossier
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EC number: 840-149-6 | CAS number: 308831-95-0
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- other: QSAR prediction
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6 May/July 2008
Test material
- Reference substance name:
- Ethyl 4-(bromomethyl)-2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-5-(4-nitrophenyl)thiophene-3-carboxylate
- Cas Number:
- 308831-95-0
- Molecular formula:
- C24H21BrF2N2O6S
- IUPAC Name:
- Ethyl 4-(bromomethyl)-2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-5-(4-nitrophenyl)thiophene-3-carboxylate
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
In vivo (LLNA)
Results
- Parameter:
- other: Skin sensitisation II (ECETOC)
- Remarks on result:
- positive indication of skin sensitisation based on QSAR/QSPR prediction
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- According to (Q)SAR model using QSAR Toolbox 4.5 Ethyl 4-(bromomethyl)-2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-5-(4-nitrophenyl)thiophene-3-carboxylate is skin sensitizer.
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