Synthesis and property of 3, 5-diamino-2,6-dinitropyrazine-1-oxide

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.