火炸药学报2026，Vol.49Issue(2)：143-152,10.DOI:10.14077/j.issn.1007-7812.202505007
耐热化合物5,5'-双(4-硝基-1,2,5-噁二唑-3-基)偶氮-1,3,4-噻二唑(BNOAT)合成优化、结构表征及基础应用性能研究
Optimal Synthesis,Structural Characterization and Performances Studies of Heat-resistant Compound 5,5'-Bis(2-nitro-1,2,5-oxadiazol-3-yl)azo-1,3,4-thiadiazole(BNOAT)
摘要
Abstract
In order to study the properties of sulfur-containing energetic compounds,5,5'-bis(2-nitro-1,2,5-oxadiazol-3-yl)azo-1,3,4-thiadiazole(BNOAT)was synthesized through four steps of cyclization,hydrolysis,condensation-cyclization,and amino oxidation by using malononitrile as the starting material.The key step of amino oxidation was optimized and the optimal reaction conditions were obtained.A reaction mechanism for the condensation-cyclization process was proposed,and single crystal of 3-amino-4-(2-amino-1,3,4-thiadiazole)furazan(AATF)was obtained.The structures of intermediates and target compounds were characterized by FT-IR,NMR,and elemental analysis.The thermal behaviors and of 3-nitro-4-(5-nitro-1,3,4-thiadiazole-2-yl)furazan(NNTF)and BNOAT were analyzed using DSC-TG.Their compatibility with common energetic com-ponents(HMX,RDX,CL-20,and DNTF)was investigated by DSC.The detonation performances were predicted by EXPLO5(v.6.04),and the sensitivities to impact and friction were tested by BAM method.The single-crystal results show that the sin-gle crystal of AATF·CH3CN belongs to the monoclinic crystal system,space group P21/n.The unit cell parameters are a=10.2786(3)Å,b=8.9863(2)Å,c=10.2899(3)Å,and β=95.129(1)°.NNTF possesses the thermal decomposition temperature of 169.9 ℃,theoretical detonation velocity of 7438 m/s,detonation pressure of 24.3 GPa,impact sensitivity of 7J,and friction sensitivity of 180 N.BNOAT exhibits thermal decomposition temperature of 269.9 ℃,theoretical detonation velocity of 7900m/s,detonation pressure of 28.2GPa,impact sensitivity of 9J,and friction sensitivity above 360N,which indicates that BNOAT is a promising heat-resistant low-sensitivity energetic compound.NNTF exhibits good compatibility with HMX,RDX,and CL-20,its initial thermal decomposition temperature(169.9 ℃)is reduced by 10 ℃ when mixed with DNTF.BNOAT demonstrates good compatibility with HMX,RDX,and DNTF,its thermal decomposition peak temperature is reduced by 7.5 ℃ when mixed with CL-20.关键词
物理化学/耐热炸药/1,3,4-噻二唑/含S含能化合物/BNOAT/AATF/NNTFKey words
physical chemistry/heat-resistant explosive/1,3,4-thiazole/sulfur-containing energetic compound/BNOAT/AATF/NNTF分类
军事科技引用本文复制引用
张家荣,曾刚毅,马玲,杨凯迪,罗义芬,王伯周..耐热化合物5,5'-双(4-硝基-1,2,5-噁二唑-3-基)偶氮-1,3,4-噻二唑(BNOAT)合成优化、结构表征及基础应用性能研究[J].火炸药学报,2026,49(2):143-152,10.基金项目
国家自然科学基金(No.22275146) （No.22275146）
