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Description of key information

2,4-Dichlorophenol does not contain any chemical functional groups that confer explosivity and based on its calculated oxygen balance it is unlikely to self detonate. Therefore, it is concluded that it is not justified, relevant or necessary to perform an explosivity study.

Key value for chemical safety assessment

non explosive

Additional information

2,4-Dichlorophenol does not contain plosophores or auxoploses - those chemical functional groups capable of conferring or enhancing explosivity. Plosophores are groups of atoms capable of forming an explosive compound upon introduction into a hydrocarbon. Primary plosophores include aromatic and aliphatic nitro groups, nitrate esters and the nitramine functional group. Secondary plosophores include groups such as azo, azide, nitroso, peroxide, ozonide, perchlorate. 2,4-Dichlorophenol does not contain any such chemical functional groups nor does it contain any ring strain functionality, energy from which could be released to relieve such ring strain. In addition, 2,4 -Dichlorophenol does not contain any of the chemical functional groups listed in Table R.7.1 -28 of the ECHA Guidance on Information requirements and chemical safety assessment, Chapter R.7a : Endpoint specific guidance.

Auxoplosives are chemical groups which are not themselves explosive but may influence explosive properties. Examples of auxoplosive groups do include hydroxyl and chlorine. Both substituents are present in 2,4-Dichlorophenol but are bonded directly to carbon atoms and their reactivity is reduced owing to resonance stabilisation.

Annex VII (7.11) of Regulation (EC) No 1907/2006 states that the study on Explosive Properties does not need to be conducted if :

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

This is the case for 2,4 -Dichlorophenol.

The calculated oxygen balance for 2,4-Dichlorophenol is -117.79%. This oxygen deficit indicates that 2,4-Dichlorophenol is unlikely to self detonate. In addition the heat of formation of 2,4-Dichlorophenol is estimated to be -153 KJ/mol. This indicates that 2,4-Dichlorophenol is not an endothermic compound and thus will not release heat upon decomposition.

It is therefore submitted that it is not justified, necessary or relevant to conduct and explosivity study on 2,4 -Dichlorophenol.

Justification for classification or non-classification

2,4 -Dichlorophenol is not classified for explosive effects.