2,4,6-三硝基-3-溴苯甲醚的合成、晶体结构与性能研究  

Synthesis,Crystal Structure and Performance of 2,4,6-Trinitro-3-bromoanisole

作　　者：刘巧娥 毕福强[2,3] 李志华 高向东 陈静 苏荣 霍欢 李祥志[2] 王伯周[2,3] LIU Qiao-e;BI Fu-qiang;LI Zhi-hua;GAO Xiang-dong;CHEN Jing;SU Rong;HUO Huan;LI Xiang-zhi;WANG Bo-zhou(Gansu Yin′guang Chemical Industry Group Co.Ltd.,Baiyin Gansu 730900,China;Xi′an Modern Chemistry Research Institute,Xi′an 710065,China;State Key Laboratory of Fluorine&Nitrogen Chemicals,Xi′an 710065,China)

机构地区：[1]甘肃银光化学工业集团有限公司,甘肃白银730900 [2]西安近代化学研究所,陕西西安710065 [3]氟氮化工资源高效开发与利用国家重点实验室,陕西西安710065

出　　处：《火炸药学报》2021年第4期441-446,共6页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金(No.21805224)。

摘　　要：为寻找一种安全性能良好的熔铸液相载体炸药,以间溴苯甲醚为原料,经硝化反应合成了2,4,6-三硝基-3-溴苯甲醚(TNBA),并采用红外光谱、核磁共振和元素分析等手段对其进行了结构表征;培养了TNBA的单晶,采用X-射线单晶衍射法研究了其晶体结构;采用差示扫描量热与实验测试方法研究了TNBA的热分解行为与安全性能;利用EXPLO5程序对比分析了TNT与TNBA分别作为液相载体时混合炸药的能量性能。结果表明,TNBA的收率为95.7%,其属于单斜晶系,空间点群P2(1)/c,密度为2.034g/cm^(3)(150K);熔点为102.83℃、分解峰温为280.33℃和294.33℃(升温速率10K/min),撞击感度为12%、摩擦感度为8%、特性落高为51.0cm;能量性能计算结果证实TNBA基熔铸炸药具有和TNT基熔铸炸药相当的爆轰性能。In order to find a suitable melt-cast carrier explosive with good safety performance,2,4,6-trinitro-3-bromoanisole(TNBA)was synthesized by using 3-bromoanisole as raw material through nitration reaction.The structure of TNBA was confirmed by means of IR spectra,1H NMR,13C NMR and elemental analysis.The single crystal of TNBA was cultivated and its crystal structure was determined by single crystal X-ray diffraction method.Meanwhile,the thermal decomposition behavior and safety performance of TNBA were studied by DSC and experimental test method.The detonation performances of melt-cast explosives with TNT and TNBA as carriers were calculated by EXPLO5,respectively.The results show that the yield of TNBA is 95.7%,the crystal of TNBA belongs to monoclinic system with space group P2(1)/c,and the crystal density of TNBA is 2.034g/cm^(3) at 150K.The DSC results show that TNBA melts at 102.83℃and decomposes in two stages at 280.33℃and 294.33℃.The impact sensitivity explosion,friction sensitivity probability and H50 of TNBA are 12%,8%and 51.0cm,respectively.The calculation results confirm that the detonation performance of TNBA-based melt-cast explosive is comparable to that of TNT-based explosive.

关 键 词：有机化学 2 4 6-三硝基-3-溴苯甲醚 熔铸炸药 TNBA 晶体结构 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O62[理学—有机化学]