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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Boiling point

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Administrative data

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boiling point
Type of information:
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Stein, S.E. and Brown, R.L. 1994. Estimation of normal boiling points from group contributions. J. Chem. Inf. Comput. Sci. 34: 581-7.
Specific details on test material used for the study:
SMILES: Nc1c(cc(cc1Br)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
Key result
Boiling pt.:
ca. 252.85 °C
Remarks on result:
other: QSAR predicted value

MPBPVP (v.1.43) predicted that the test item has a Boiling point = 252.85 ºC.

The estimated boiling point is 252.85 ºC (EPI-Suite, MPBPVP v1.43).
Executive summary:

The estimated boiling point is 252.85 ºC (EPI-Suite, MPBPVP v1.43).

Description of key information

Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The estimated boiling point is 252.85 ºC (EPI-Suite, MPBPVP v1.43).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
252.85 °C

Additional information