Registration Dossier
Registration Dossier
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EC number: 212-172-6 | CAS number: 766-84-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2016
- 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
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- QSAR calculation without guideline
Test material
- Reference substance name:
- 3-chlorobenzonitrile
- EC Number:
- 212-172-6
- EC Name:
- 3-chlorobenzonitrile
- Cas Number:
- 766-84-7
- Molecular formula:
- C7H4ClN
- IUPAC Name:
- 3-chlorobenzonitrile
- Reference substance name:
- 4-chlorobenzonitrile
- EC Number:
- 210-765-4
- EC Name:
- 4-chlorobenzonitrile
- Cas Number:
- 623-03-0
- Molecular formula:
- C7H4ClN
- IUPAC Name:
- 4-chlorobenzonitrile
- Reference substance name:
- Benzonitrile
- EC Number:
- 202-855-7
- EC Name:
- Benzonitrile
- Cas Number:
- 100-47-0
- Molecular formula:
- C7H5N
- IUPAC Name:
- benzonitrile
- Test material form:
- solid: bulk
Constituent 1
impurity 1
impurity 2
Results and discussion
Water solubility
- Water solubility:
- 141 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: based on QSAR prediction
Applicant's summary and conclusion
- Conclusions:
- 3-Chlorobenzonitrile has a water solubility of 141 mg/L at 25 °C
- Executive summary:
3-Chlorobenzonitrile has a water solubility of 141 mg/L at 25 °C, based on QSAR prediction
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