Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 700-328-0 | CAS number: 776-04-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Internationally accepted method, EPI-Suite, EPA (USA)
Data source
Materials and methods
- Principles of method if other than guideline:
- QSAR Application Toolbox v1.1: KOWWIN v1.67
- Type of method:
- other: estimated data
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-(trifluoromethyl)benzene-1-sulfonyl chloride
- EC Number:
- 700-328-0
- Cas Number:
- 776-04-5
- Molecular formula:
- C7H4ClF3O2S
- IUPAC Name:
- 2-(trifluoromethyl)benzene-1-sulfonyl chloride
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.9
Applicant's summary and conclusion
- Conclusions:
- Log Kow EPISUITE = 3.9 (QSAR Application Toolbox v1.1: KOWWIN v1.67)
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.
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