含能材料2024，Vol.32Issue(6)：584-590,7.DOI:10.11943/CJEM2024053
3-(1H-四唑)-7-(三氟甲基)-1,2,4-三唑[5,1-c]-1,2,4-三嗪-4-氨基的制备及性能
Synthesis and Properties of 3-(1H-Tetrazol-5-yl)-7-(trifluoromethyl)-1,2,4-triazolo[5,1-c]-1,2,4-triazin-4-amine
摘要
Abstract
A trifluoromethyl-containing fused triazole-triazine energetic molecule,3-(1H-tetrazol-5-yl)-7-(trifluoromethyl)-1,2,4-triazolo[5,1-c]-1,2,4-triazin-4-amine(2),was synthesized in two steps from 5-(trifluoromethyl)-1,2,4-triazol-3-amine.The crystal structure of this compound was characterized by X-ray single crystal diffraction.Its structure and properties were character-ized by 1H and 13C Nuclear Magnetic Resonance Spectroscopy(NMR),Fourier Transform infrared spectroscopy(FT-IR)and dif-ferential scanning calorimetry(DSC).The detonation performance of compound 2 was predicted by EXPLO5 and and sensitivity testing was performed according to the BAM standard method.Results show that compound 2 belongs to the triclinic space group Pī,a=4.9035(10)Å,b=10.219(2)Å,c=15.194(3)Å,V=720.4(3)Å3,α=107.163(6)°,β=92.486(7)°,γ=96.4438(7)°,Z=2.The theoretical detonation velocity and pressure of compound 2 are 6933 m·s-1 and 17.1 GPa,respectively.Its measured impact sensitivity is more than 40 J and the friction sensitivity is larger than 360 N.关键词
性能计算/有机合成/热分解温度/晶体结构/三氟甲基Key words
property computation/organic synthesis/thermal decomposition temperature/crystal structure/trifluoromethyl分类
军事科技引用本文复制引用
张荣政,陆明,许元刚..3-(1H-四唑)-7-(三氟甲基)-1,2,4-三唑[5,1-c]-1,2,4-三嗪-4-氨基的制备及性能[J].含能材料,2024,32(6):584-590,7.基金项目
国家自然科学基金(22105102,22135003) Natural Science Foundation of China(Nos.22105102,22135003) （22105102,22135003）
