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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Explosiveness

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Reference
Endpoint:
explosive properties of explosives
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
02 November 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Follows sound scientific evaluation based on structure and oxygen balance calculation.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
according to guideline
Guideline:
other: QSAR
Principles of method if other than guideline:
The oxygen balance is calculated from the emperical formula of the compund 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 on the presence or absence of known molecular groups which have explosive properties.
GLP compliance:
no
Remarks:
Conducted in compliance with ISO 9001 accreditation
Key result
Test series:
other: QSAR assessment
Method:
other: Evaluation of oxygen balance and structural information
Parameter:
other: Structural assessment
Value:
0
Result:
other: Negative on the basis of structural assessment and oxygen balance.
Remarks on result:
other: Not explosive.

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 -287.20. This is not indicative of the potential to be explosive.

Interpretation of results:
non explosive
Remarks:
Migrated information
Conclusions:
The substance is not deemed to be explosive, based on the chemical strcuture and an oxygen balance value of -287.20.
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 conducted. 

Description of key information

Key value determined by QSAR.

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

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 conducted. 

Justification for classification or non-classification

The above results triggered no classification under the Dangerous Substance Directive (67/548/EEC) and the CLP Regulation (EC No 1272/2008). No classification is therefore required.