4-chloro-α,α,α-trifluorotoluene

Explosiveness

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

Test material information

Constituent 1

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.