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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Link to relevant study record(s)

Reference
Endpoint:
explosive properties of explosives
Type of information:
(Q)SAR
Remarks:
expert statement
Adequacy of study:
key study
Study period:
20 Jul 2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Based on structural groups, the test item is potentially not explosive.
Based on the oxygen balance value, the test substance could be deemed to be potentially explosive, however the lack of structural alerts indicates that there is no concern for explosivity associated with this substance.
Qualifier:
according to guideline
Guideline:
other: oxygen balance calculation, ECHA Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a, Version 6.0, July 2017
Deviations:
no
GLP compliance:
no
Parameter:
other: see Remarks
Remarks:
no testing has been carried out
Remarks on result:
not measured/tested
Remarks:
expert statement provided

The test item has no structural alerts for explosivity.

Oxygen balance (OB) calculation:

Considering the molecular formula of the test item, C8H3F13 (MW = ca. 346.1 g/mol), the oxygen balance has been calculated as following:

OB% = [-1600 / (MW of test item)] * [2X + (Y/2) + M-Z], where

X = number of carbon atoms,

Y = number of hydrogen atoms,

Z = number of oxygen atoms,

M = number of metal atoms (metallic oxide produced).

Results:

Oxygen Balance (%) = -80.90

Conclusion:

The test item is potentially explosive since OB (%) is greater than -200%.

Description of key information

Non explosive.

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

In accordance with column 2 of regulation (EC) No 1907/2006 (REACH) Annex VII, the explosiveness of the substance does not need to be tested, because there are no chemical groups associated with explosive properties in the molecule. Based on the oxygen balance value, the test substance could be deemed to be potentially explosive, however the lack of structural alerts indicates that there is no concern for explosivity associated with this substance.

Justification for classification or non-classification

No classification, the substance is a non explosive liquid.

Although the oxygen balance is greater than -200%, there are no chemical groups associated with explosive properties present in the molecule.