Registration Dossier
Registration Dossier
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EC number: 212-298-1 | CAS number: 778-94-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 006
- Report date:
- 2006
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- GLP certifying authority: The department of health of the government of the United Kingdom, United Kingdom
- Type of method:
- flask method
Test material
- Reference substance name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
- EC Number:
- 212-298-1
- EC Name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
- Cas Number:
- 778-94-9
- Molecular formula:
- C8H3F3N2O2
- IUPAC Name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0.731 g/L
- Temp.:
- 20 °C
- pH:
- > 5.3 - < 6
Any other information on results incl. tables
Preliminary test
The preliminary estimate of water solubility was 0.686 g/L.
Definitive test
The mean peak areas relating to the standard and sample solutions are shown in the following table:
| Solution | Mean Peak Area |
| Standard 101 mg/L | 3.521 x 103 |
| Standard 102 mg/L | 3.599 x 103 |
| Sample 1A | 2.612 x 103 |
| Sample 1B | 2.613 x 103 |
| Sample 2A | 2.560 x 103 |
| Sample 2B | 2.555 x 103 |
| Sample 3A | 2.501 x 103 |
| Sample 3B | 2.506 x 103 |
The concentration (g/L) of test material in the sample solutions is shown in the following table:
| Sample Number | Time Shaken at ~ 30 °C (hours) | Time Equilibrated at 20 °C (hours) | Concentration (g/L) | Solution pH |
| 1 | 24 | 24 | 0.747 | 5.6 |
| 2 | 48 | 24 | 0.731 | 5.3 |
| 3 | 72 | 24 | 0.716 | 6.0 |
Mean concentration: 0.731 g/L at 20.0 ± 0.5°C
Range: 0.716 to 0.747 g/L
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 200 mg/L. This was satisfactory with a correlation coefficient of 1.000 being obtained.
Conclusion
The water solubility of the test material has been determined to be 0.731 g/L of solution at 20.0 ± 0.5°C.
Applicant's summary and conclusion
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