新型熔铸炸药3,3′-双(二硝甲基⁃ONN⁃氧化偶氮基)三呋咱(BDNAF)的合成与性能

A Novel Melt⁃Cast Explosive Bis(dinitromethyl⁃ONN⁃azoxyfurazanyl)trifurazan(BDNAF):Synthesis and Characterization

利用3,4⁃双(3′⁃氨基呋咱⁃4′⁃基)呋咱(BATF)和2,2⁃二甲基⁃5⁃硝基⁃5⁃亚硝基⁃1,3⁃二氧环己烷(DMNNDO)为原料,经氧化偶联、水解、溴化、还原和硝化五步反应首次合成新型含能化合物3,3′⁃双(二硝甲基⁃ONN⁃氧化偶氮基)三呋咱(BDNAF),通过红外(IR)、核磁(NMR)和元素分析(EA)对中间体和目标化合物进行结构表征。利用差示扫描量热法(DSC)研究了中间体3,3′⁃双(单硝甲基⁃ONN⁃氧化偶氮基)三呋咱(BNAAF)和目标化合物BDNAF的热行为;采用Gaussian 09程序和Explo 5(v.6.04)预估了BNAAF和BDNAF的物化及爆轰性能。结果表明:BNAAF没有熔点,热分解峰温为106.4℃,理论密度为1.82 g·cm^(-3),爆速为8298 m·s^(-1),爆压为29.0 GPa;BDNAF的熔点为95.4℃,第一分解峰温为170.5℃,理论密度为1.91 g·cm^(-3),爆速为9005 m·s^(-1),爆压为35.9 GPa,可作为一种新型熔铸炸药。

A novel melt⁃cast energetic compound bis(dinitromethyl⁃ONN⁃azoxyfurazanyl)furazan(BDNAF)was synthesized us⁃ing 3,4⁃bis(3′⁃aminofurazal⁃4′⁃yl)furazan(BATF)and 2,2⁃dimethyl⁃5⁃nitro⁃5⁃nitroso⁃1,3⁃dioxane(DMNNDO)as starting ma⁃terials via oxidation coupling,hydrolysis,bromization,reduction and nitration five⁃step reactions.The structures of the interme⁃diates and the target material were fully characterized by infrared spectrum(IR),nuclear magnetic resonance(NMR)and elemen⁃tal analysis(EA).The thermal behaviors of intermediate compound 3,3′⁃bis(nitromethyl⁃ONN⁃azoxyfurazanyl)furazan(BNAAF)and target compound BDNAF were investigated based on differential scanning calorimetry(DSC)measurement,and the physicochemical properties and detonation performances of BNAAF and BDNAF were estimated by Gaussian 09 program and Explo 5(v.6.04).Results show that the intermediate compound BNAAF directly decomposed at 106.4℃without melting process,and the calculated density of BNAAF is 1.82 g·cm^(-3),the detonation velocity is 8298 m·s^(-1),and the detonation pres⁃sure is 29.0 GPa.The melting point of the target compound BDNAF is 95.4℃,the first decomposition point is 170.5℃at the heating rate of 10℃·min-1,and the theoretical density of BDNAF is 1.91 g·cm^(-3),the detonation velocity is 9005 m·s^(-1) and the detonation pressure 35.9 GPa,which revealed that BDNAF is a promising melt⁃cast explosive.