A series of new nitropyrazole explosive molecules were designed with N-nitropyrazole as structural unit, The detonation parameters of nitropyrazoles explosives, such as detonation velocity, detonation pressure, detonation temperature, detonation volume, were estimated theoretically in different methods, The calculated detonation pressure was corresponded with high energy density material (HEDM). Their detonation velocity and detonation pressure are between those of TATB and HMX. These compounds have higher detonation temperature and heat of detonation compared with HMX and TATB. It was predicted that these explosives are of favorable stability.
4-Chloro-3,5-dinitropyrazole(ClDNP) as an insensitive energetic compound has been prepared with 4-Chloropyrazole(4-ClP)via nitrated by mixture of nitric acid and sulfuric acid. The reactionconditions were investigated, such as the molar ratio of 4-chloropyrazole and HNO3, reaction temperature, reaction time. Through the single factor experiment, the optimum reaction condition was determined that the molar ratio of 4-chloropyrazole and HNO3 was 1:4, the reaction time was 4h, the reaction temperature was 100-105°C. The yield of the ClDNP was up to 73.8% under the above conditions.The ClDNP was re-crystallization by methylbenzene.The target product was characterized by IR, 1H NMR, 13C NMR and Gauss Photography.
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