3,5-二氨基-2,6-二硝基吡嗪-1-氧化物合成及性能

Synthesis and Property of 3,5-Diamino-2,6-dinitropyrazine-1-oxide

以2,6-二氯吡嗪为原料,合成了新型含能化合物3,5-二氨基-2,6-二硝基吡嗪^(-1)-氧化物(DDPZO-i),收率40%。用IR、NM R、M S技术表征了其结构。通过X射线衍射技术确定了其单晶晶体结构。利用差示扫描量热法研究了其热稳定性,确定其分解峰值温度为215℃。DDPZO-i的实测密度为1.935 g·cm^(-3),高于耐热炸药LLM^(-1)05。用Gaussain03软件计算的标准生成焓为169.4 k J·mol^(-1)。对吡嗪骨架氧化反应机理进行了推测。采用Explore5 v6.02软件预估的DDPZO-i的爆速为9070 m·s^(-1),爆压为36.9 GPa,均优于LLM^-105。用BAM撞击感度仪实测的撞击感度为5 J,高于LLM-105的撞击感度。

A new energetic compound 3,5-diamino-2,6-dinitropyrazine-1-oxide （DDPZO-i） was synthesized with a yield of 40% from 2,6-dichloropyrazine as the starting material. Its structure was characterized by IR, NMR and MS techniques. Its single crystal structure was determined by X-ray diffraction （XRD） technique. Its thermal stability was studied by DSC and thermal decomposition peak temperature determined is 215 ℃ The measured density of DDPZO-i is 1.935 g·cm-3, which is slightly higher than LLM-105. The standard enthalpy of formation calculated by Gaussain03 software is 169.4 kJ·mol-1. A possibile mechanism of oxidation reaction of pyrazine skeleton was given. The detonation properties of DDPZO-i were estimated by Explore 5 v6.02 software, and the detonation velocity and detonation pressure are 9070 m·s-1 and 36.9 GPa, respectively, which are better than those of LLM-105. The impact sensitivity measured by BAM impact sensitivity instrument is 5 J, which is higher than LLM-105.