含能材料2025，Vol.33Issue(5)：433-439,7.DOI:10.11943/CJEM2025034
5,7-二氨基-8-硝基四唑并[1,5-c]嘧啶的合成、晶体结构与性能
Synthesis,Crystal Structure and Properties of 5,7-Diamino-8-nitrotetrazolo[1,5-c]pyrimidine
摘要
Abstract
5,7-Diamino-8-nitrotetrazolo[1,5-c]pyrimidine(3)was synthesized by a two-step reaction of nitration and cycloaddi-tion using 2,4-diamino-6-chloropyrimidine(1)as raw material.The structure of 3 was characterized by nuclear magnetic reso-nance spectrometer(NMR),Fourier transform infrared spectrometer(FT-IR),elemental analyzer(EA)and single crystal X-ray diffractometer(SC-XRD).The thermal behavior of 3 was analyzed by differential scanning calorimeter(DSC)and thermogravi-metric(TG).The detonation properties were calculated by Gaussian and Explo5.The sensitivities were measured using BAM im-pact and friction sensitivity testers.The results show that the crystal of compound 3·DMSO belongs to monoclinic system,space group P21/c,and the cell parameters are a=4.7331(3)Å,b=22.8991(13)Å,c=10.6580(6)Å,α=90°,β=99.758(2)°,γ=90°,V=1138.44(12)Å3,Z=4.The crystal density is 1.600 g·cm-3(296 K).The theoretical detonation velocity and pressure of 3 are 8570 m·s-1 and 28.2 GPa,respectively.The impact and friction sensitivities of 3 are 22 J and 305 N,respectively.关键词
含能化合物/四唑/嘧啶/晶体结构/爆轰性能Key words
energetic compound/tetrazole/pyrimidine/crystal structure/detonation properties分类
武器工业引用本文复制引用
张艾雅,胡俊彪,黄伟,刘雨季,汤永兴..5,7-二氨基-8-硝基四唑并[1,5-c]嘧啶的合成、晶体结构与性能[J].含能材料,2025,33(5):433-439,7.基金项目
国家自然科学基金(22305121) National Natural Science Foundation of China(No.22305121) （22305121）
