Registration Dossier
Registration Dossier
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EC number: 839-928-3 | CAS number: 174072-89-0
Explosiveness
Administrative data
- Endpoint:
- explosiveness, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Justification for type of information:
- (Q)SAR prediction
Data source
Reference
- Reference Type:
- other: QSAR prediction
- Title:
- QSAR toolbox prediction for explosivness
- Author:
- Gedeon Richter Plc.
- Year:
- 2 022
- Bibliographic source:
- QSAR Toolbox 4.5 SP1
- 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 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
- EC Number:
- 839-928-3
- Cas Number:
- 174072-89-0
- Molecular formula:
- C14H14N2O4S
- IUPAC Name:
- Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
- Test material form:
- solid: crystalline
Constituent 1
Results and discussion
Results of test series for explosives
- Test series:
- other: QSAR Toolbox 4.5
- Method:
- other: not specified
- Parameter:
- other: not specified
- Result:
- other: non explosive
- Remarks on result:
- other: no indication of explosive properties based on the similar molecules to NTC found by QSAR Toolbox 4.5
Applicant's summary and conclusion
- Interpretation of results:
- study cannot be used for classification
- Conclusions:
- According to the grouping conducted using (Q)SAR Toolbox 4.5, the similar molecules to NTC that the software has found have no explosive properties. Therefore it is assumed that NTC has also no explosive properties.
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