1-偕 二 硝 基 -3-硝 基 -5-叠 氮 吡 唑 钾 盐 的 合 成 、结 构 与 性 能

1‐ （Trinitromethyl）‐3‐nitro‐5‐azidopyrazole（compound 1）was synthesized from 1‐acetonyl‐3，5‐dinitropyrazole via nitration. The 1‐ （dinitromethyl）‐3‐nitro‐5‐azidopyrazole potassium salt（compound 2）was further prepared through a salification reaction with KI. The structures of both two compounds were characterized by Fourier‐transform infrared spectroscopy（FT‐IR），nuclear magnetic resonance（NMR），and single crystal X‐ray diffraction. The results show that compound 2 contains both azido and dinitromethylene groups，exhibiting superior overall properties of high decomposition temperature（151.41 ℃）and detonation velocity（8369 m∙s^-1）. The relatively high sensitivity towards external mechanical stimuli make it suitable to be a primary explosive. The detonation performance of compound 2 was further analyzed using Gaussian and Explo5 software. This research provides valuable insights for the design of novel green explosives.