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Advanced Open-Chain Nitramines as Energetic Materials: Heterocyclic-Substituted 1,3-Dichloro-2-nitrazapropane

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Abstract

There are great demands to develop explosives with higher performance accompanied by reduced sensitivities towards external stimuli, higher thermal stability and improved environmental acceptability. This contribution presents modified nitramines, which were investigated by nucleophilic substitution reactions of potassium salts of 5-amino-3-nitro-1,2,4-triazole, 3,5-dinitro-1,2,4-triazole, 3,5-dinitroimidazole, 2,4-dinitroimidazole, 4-amino-3,5-dinitropyrazole, 3,5-dinitropyrazole, 3,4-dinitropyrazole and 3,4,5-trinitropyrazole on 1,3-dichloro-2-nitrazapropane. The energetic compounds were comprehensively characterized and their detonation parameters were calculated by the EXPLO5 code. Heats of formation were calculated by the atomization method using CBS-4M electronic enthalpies. The presented compounds show detonation performances comparable to pentaerythritol tetranitrate (PETN). In addition, they possess high thermal stabilities and low sensitivities, which make them interesting for further investigations and possible applications as insensitive, high-energy dense materials.

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