Registration Dossier
Registration Dossier
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EC number: 217-533-1 | CAS number: 1879-09-0
Explosiveness
Administrative data
Link to relevant study record(s)
- 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.
- 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.
Reference
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.
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
