CHINESE JOURNAL OF ENERGETIC MATERIALS
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3,5-双(二硝甲基)-1,2,4-三唑的双脒基脲盐的合成与性能(英)
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作者单位:

1.西安近代化学研究所;2.氟氮化工资源高效开发与利用国家重点实验室

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基金项目:

Project Supported: Foundation:National Natural Science Foundation of China 21805224Project Supported: Foundation:National Natural Science Foundation of China(21805224)


Synthesis and Properties of Diguanylurea 3,5-Bis(dinitromethyl)-1,2,4-triazolate
Author:
Affiliation:

1.Xi′an Modern Chemistry Research Institute, Shaanxi Xi′an, 710065, China;2.State Key Laboratory of Fluorine & Nitrogen Chemicals, Shaanxi Xi′an, 710065, China

Fund Project:

Foundation:National Natural Science Foundation of China 21805224 Foundation:National Natural Science Foundation of China(21805224)

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    摘要:

    以3-偕二硝甲基-5-乙酸乙酯基-5,5-二硝基-1H-1,2,4-三唑为原料,通过硝化、水解和离子交换反应设计并合成了未见文献报道的新化合物3,5-双(二硝甲基)-1,2,4-三唑的双脒基脲盐(DMDNMT);采用红外光谱、1H NMR、13C NMR及元素分析等对中间体及最终产物进行了结构表征;对DMDNMT的密度和生成焓进行了理论计算,并利用EXPLO5 6.04软件对DMDNMT的爆轰性能进行了计算,其密度为1.81 g·cm-3,爆速为8624.8 m·s-1,爆压为29.2 GPa;利用DSC和TG-DTG验证了DMDNMT的热稳定性,DMDNMT的分解点为177.3 ℃。

    Abstract:

    Using ethyl 2-(3-(dinitromethyl)-1H-1,2,4-triazol-5-yl)acetate as a starting material, diguanylurea 3,5-bis(dinitromethyl)-1,2,4-triazolate (DMDNMT) was firstly designed and synthesized via the reactions of nitration, hydrolysis and metathesis. The structures of all compounds were characterized by 1H NMR, 13C NMR, IR and element analysis. Based on the theoretical values of densities and heat of formation, the detonation parameters were calculated using Gaussian 09 program and EXPLO5 6.04. Results show that the density of DMDNMT is 1.81 g·cm-3, the heat of formation is -446.1 kJ·mol-1, the detonation velocity and detonation pressure are 8624.8 m·s-1 and 29.2 GPa, respectively. DSC and TG-DTG measurements indicate that the decomposition temperature of DMDNMT is 177.3 ℃, and its impact sensitivity determined by standard BAM method is 24 J.

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引用本文

霍欢,翟连杰,郭涛,等.3,5-双(二硝甲基)-1,2,4-三唑的双脒基脲盐的合成与性能(英)[J].含能材料, 2019, 27(9):802-805. DOI:10.11943/CJEM2019066.
HUO Huan, ZHAI Lian-jie, GUO Tao, et al. Synthesis and Properties of Diguanylurea 3,5-Bis(dinitromethyl)-1,2,4-triazolate[J]. Chinese Journal of Energetic Materials, 2019, 27(9):802-805. DOI:10.11943/CJEM2019066.

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  • 收稿日期: 2019-03-18
  • 最后修改日期: 2019-06-26
  • 录用日期: 2019-05-13
  • 在线发布日期: 2019-06-19
  • 出版日期: 2019-09-27