2-偕二硝甲基-5-硝基四唑的合成与性能

Synthesis and Performance of 2-Dinitromethyl-5-nitrotetrazole

以5-硝基四唑钠盐二水合物为原料,经取代反应和硝化-水解反应两步合成出了2-偕二硝甲基-5-硝基四唑(HDNMNT),总收率51.89%,采用核磁共振谱、红外光谱和元素分析对其结构进行了表征。为了研究HDNMNT的性能,运用量子化学方法预估了HDNMNT的理论密度、固相生成焓和爆轰性能,并利用差示扫描量热法(DSC)研究了其热稳定性。结果表明:HDNMNT理论密度高达1.88g·cm-3,固相标准生成焓为273.0kJ·mol-1,爆轰性能与RDX相当:爆速为8.732km·s-1,爆压为35.4GPa,但是热分解温度仅为120℃,热稳定性较差。

Using sodium 5-nitrotetrazolate dihydrate as starting material, 2-dinitromethyl-5-nitrotetrazole （HDNMNT） was synthe- sized via the reactions of substitution and nitration-hydrolysis with a total yield of 51.89%. The structure of HDNMNT was charac- terized by means ofIH NMR, 13C NMR, Fourier Transform Infrared Spectroscopy（FTIR） and elemental analysis, in order to study the performance of HDNMNT, the density, enthalpy of formation and detonation parameters were calculated theoretically, the thermal stability was analyzed by the differential scanning calorimetry（DSC） method . Results show that the density of HDNMNT is up to 1. 880 g · cm-3 the enthalpy of formation is 273.0 kJ · mol -1 , and the detonation velocity and detonation pressure are 8. 732 km· s-1 and 35.4 GPa, respectively, which can be camparative with RDX. However, the decomposition temperature of HDNMNT is only 120 ℃, showing a relatively poor thermal stability.