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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
experimental study
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification

Data source

Reference
Reference Type:
publication
Title:
Benzaldehyde, 3-(trifluoromethyl)-
Author:
EPI Suite v4.11
Year:
2018
Bibliographic source:
US EPA. [2012 or insert current year]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Calculation method
GLP compliance:
no
Type of method:
other: Calculation method

Test material

Constituent 1
Chemical structure
Reference substance name:
α,α,α-trifluoro-3-tolualdehyde
EC Number:
207-228-1
EC Name:
α,α,α-trifluoro-3-tolualdehyde
Cas Number:
454-89-7
Molecular formula:
C8H5F3O
IUPAC Name:
3-(trifluoromethyl)benzaldehyde
Test material form:
liquid
Details on test material:
SMILES: O=Cc(cccc1C(F)(F)F)c1

Results and discussion

Melting / freezing point
Melting / freezing pt.:
-6.21 °C
Remarks on result:
not measured/tested
Remarks:
caculated

Applicant's summary and conclusion