Preparation, Crystal Structure and Thermal Decomposition Mechanisms of  4,6-Dinitrobenzofuroxan

Chinese Journal of Organic Chemistry ›› 2004, Vol. 24 ›› Issue (2): 205-209. Previous Articles Next Articles

4,6-二硝基苯并氧化呋咱的制备、晶体结构及热分解机理

苗艳玲^a, 张同来^*,a, 乔小晶^a, 张建国^a, 郁开北^b

^a北京理工大学爆炸灾害预防控制国家重点实验室北京 100081
^b中国科学院成都有机化学研究所分析测试中心成都 640041

收稿日期:2003-03-25 修回日期:2003-06-18 接受日期:2003-08-29 发布日期:2022-09-20

Preparation, Crystal Structure and Thermal Decomposition Mechanisms of 4,6-Dinitrobenzofuroxan

MIAO, Yan-Ling^a, ZHANG, Tong-Lai^*,a, QIAO, Xiao-Jing^a, ZHANG, Jian-Guo^a, YU, Kai-Bei^b

^aState Key Laboratory of Prevention and Control of Explosion Disasters,Beijing Institute of Technology, Beijing 100081
^bInstrumentation Analysis and Research Center, Chengdu Branch, Chinese Academy of Sciences, Chengdu 640041

Received:2003-03-25 Revised:2003-06-18 Accepted:2003-08-29 Published:2022-09-20
Contact: * E-mail: ztlbit@public.bta.net.cn

Abstract

4,6-Dinitrobenzofuroxan (DNBF) was prepared by heating 1-azido-2,4,6-trinitrobenzene (TNAB) in acetic acid at 100 ℃, and the single crystal of DNBF was cultivated. The crystal was characterized by using X-ray singlecrystal diffraction, elemental analysis and IR measurement. The crystal is monoclinic, space group P2₁ with crystal parameters as: a=0.7408(2) nm,b=0.6185(1) nm, c=0.9796(2) nm, β=107.99(2)°, V=0.4269(16)nm³, Z=2, D_c=1.759 g·cm^-3, F(000)=228, μ(Mo Kα)=0.161 mm^-1, R₁=0.0483, wR₂=0.1240. The obtained results indicate that DNBF is a kind of planar molecules, and its crystal is packed layer bylayer like graphite. The thermal decomposition process of DNBF was studied by using TG-DTG and DSC techniques with a heating rate of 5 K·min^-1. The results show that DNBF melts at 173 ℃, produces an intense thermolysis between 206and 246 ℃, and decomposes completely up to 429 ℃.

Key words: 4,6-dinitrobenzofuroxan, preparation, crystal structure, thermal decomposition mechanism

Cite this article

MIAO, Yan-Ling, ZHANG, Tong-Lai, QIAO, Xiao-Jing, ZHANG, Jian-Guo, YU, Kai-Bei. Preparation, Crystal Structure and Thermal Decomposition Mechanisms of 4,6-Dinitrobenzofuroxan[J]. Chinese Journal of Organic Chemistry, 2004, 24(2): 205-209.

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4,6-二硝基苯并氧化呋咱的制备、晶体结构及热分解机理

Preparation, Crystal Structure and Thermal Decomposition Mechanisms of 4,6-Dinitrobenzofuroxan

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