Registration Dossier
Registration Dossier
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EC number: 840-148-0 | CAS number: 308831-94-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- 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:
- Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02.
Data source
Reference
- Reference Type:
- other: SciFinder Database
- Title:
- Substance Detail of FNTC
- Year:
- 2 022
- Bibliographic source:
- SciFinder Database
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Guideline:
- other: Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02.
- Principles of method if other than guideline:
- Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02.
- GLP compliance:
- no
Test material
- Reference substance name:
- Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
- EC Number:
- 840-148-0
- Cas Number:
- 308831-94-9
- Molecular formula:
- C24H22F2N2O6S
- IUPAC Name:
- Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0.001 g/L
- Temp.:
- 25 °C
- pH:
- >= 1 - <= 10
- Remarks on result:
- other: Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02.
- Details on results:
- Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02.
Applicant's summary and conclusion
- Conclusions:
- Water solubility of ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate 5.5 x 10-4 g/L on 25°C in a pH range of 1-10. Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02.
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