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Type of information:
calculation (if not (Q)SAR)
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
02 April 2012
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Follows sound scientific evaluation based on structure and oxygen balance calculation and conducted in compliance with ISO 9001 accreditation.
according to guideline
other: assessment of structure and oxygen balance
Principles of method if other than guideline:
The oxygen balance is calculated from the emperical formula of the compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide, hydrogen to water and metal to metal oxide. A structural evaluation determines the explosiveness potential or absence of known molecular groups which have explosive properties.
GLP compliance:
Conducted in compliance with ISO 9001 accreditation
Key result
Test series:
other: QSAR
other: QSAR
other: QSAR
result is considered "-" (negative)
Remarks on result:
other: Not explosive based on QSAR,

Substances that are explosive contain molecular groups which have explosive properties. Examples include:


- Nitro compounds

- Nitric Esters

- Nitramines

- Derivatives of chloric and perchloric acids

- Azides

- Acetylides

- Fulminates

- Ozinides

- Peroxides

- Nitrogen rich compounds – e.g. tetrazene

The substance contains none of these groups.


The oxygen balance value of the substance was calculated to be -288.56. This is not indicative of the potential to be explosive.

Interpretation of results:
non explosive
Migrated information
The substance is deemed not to be explosive, based on the chemical strcuture and an oxygen balance of -288.56.
Executive summary:

Calculation based on structure and oxygen balance was carried out and determined that the substance was not potentially explosive. In accordance with EU-REACH regulations no further study needs to be carried out.

Description of key information

Key value determined by assessment of chemical structure and oxygen balance calculation.

Key value for chemical safety assessment

non explosive

Additional information

The regulatory position (specifically the EU Registration, Evaluation, Authorisation and Restriction of Chemicals, REACH Regulation) with regards to explosivity is that a study does not need to be conducted if:

- there are no chemical groups associated with explosive properties present in the molecule.

The substance contains no chemical groups associated with explosive properties and has an oxygen balance of -288.56.

Justification for classification or non-classification