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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
explosiveness
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
Chetah 8.0 - Computer Program for Energy Release Evaluation and Prediction of Chemical Thermodynamic Properties (ASTM E27-07)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-chloro-α,α,α-trifluorotoluene
EC Number:
202-681-1
EC Name:
4-chloro-α,α,α-trifluorotoluene
Cas Number:
98-56-6
Molecular formula:
C7H4ClF3
IUPAC Name:
1-chloro-4-(trifluoromethyl)benzene

Results and discussion

Small-scale preliminary tests
Parameter:
other: Explosive (not specified)
Remarks:
migrated information
Remarks on result:
negative (not further specified)

Applicant's summary and conclusion

Interpretation of results:
non explosive
Remarks:
Migrated information
Conclusions:
Chetah 8.0 predicted that the substance does not have explosive properties.