Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
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: MPBPWIN v.1.42
Type of method:
other: estimated data

Test material

Constituent 1
Chemical structure
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

Results and discussion

Melting / freezing point
Melting / freezing pt.:
72.41 °C
Remarks on result:
other: (Mean or Weighted MP)

Applicant's summary and conclusion

Conclusions:
Melting point EPISUITE = 72.41 ºC (Mean or Weighted MP) (QSAR Application Toolbox v1.1: MPBPWIN v.1.42)