Registration Dossier
Registration Dossier
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EC number: 213-322-3 | CAS number: 937-14-4
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using WSKOW v1.42.
- GLP compliance:
- no
- Type of method:
- other: QSAR prediction using WSKOW v1.42.
- Specific details on test material used for the study:
- SMILES : O=C(OO)c(cccc1CL)c1
MOL FOR: C7 H5 CL1 O3
MOL WT : 172.57 - Key result
- Water solubility:
- ca. 7 691 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not available in QSAR prediction.
- Details on results:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability.
- Conclusions:
- The estimated water solubility using WSKOW v1.42 = 7961 mg/L 25 °C
- Executive summary:
The estimated water solubility using WSKOW v1.42 = 7961 mg/L 25 °C
Reference
Description of key information
Based on a (Q)SAR calculation, the water solubility of the test substance is 7,961 mg/L at 25°C.
Key value for chemical safety assessment
- Water solubility:
- 7 961 mg/L
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
