5213-49-0Relevant articles and documents
Synthesis, thermal hazard analysis and density functional theory study of nitroimidazoles
Hao, Lina,Jiang, Juncheng,Liu, Xuqin,Ma, Congming,Ma, Peng,Pan, Yong,Xu, Xiaosong,Zhang, Renfa
, (2021/11/16)
To understand the thermal decomposition mechanism and performance of nitroimidazoles, 1,4-dinitroimidazole (1,4-DNI), 2,4-dinitroimidazole (2,4-DNI) and 4,5-dinitroimidazole (4,5-DNI) were synthesized by 4-nitroimidazole firstly and all of them were studied using Differential Scanning Calorimetry (DSC), Accelerating Rate Calorimetry (ARC) and Density Functional Theory (DFT). The experiments show that among the four nitroimidazoles, the decomposition temperature and apparent activation energy of 1,4-DNI are relatively low. Theoretical calculations show that compared with C[sbnd]NO2, N[sbnd]NO2 is easier to break from the imidazole ring, and the detonation performance of 1,4-DNI is the best among the four nitroimidazoles. Dinitroimidazoles all contain two nitro groups, resulting in their sensitivity and energy much greater than 4-NI. Since 1,4-DNI is the only substance containing N[sbnd]NO2, the chemical activity of 1,4-DNI is further improved. In addition, 1,4-DNI has relatively excellent detonation performance, which can be used as the research direction of new energetic materials.
Design and Synthesis of Energetic Materials towards Versatile Applications by N-trinitromethyl and N-nitromethyl Functionalization of Nitroimidazoles
Yin, Xin,Li, Jie,Zhang, Guojie,Zhang, Zhenqi,Ma, Qing,Wang, Jun,Wang, Shumin
, p. 787 - 796 (2018/09/11)
Modifying the properties of energetic materials is important not only for gaining insight into the relationship between structures and properties but also for multiple applications. A new family of energetic compounds, polynitroimidazoles featuring trinitromethyl, nitromethyl and methyl acetate moieties at the nitrogen position of heterocyclic rings were synthesized. The high-energy oxidizers 2-nitro and 4-nitro-1-(trinitromethyl)-1H-imidazoles were obtained by nitration of 1-acetonylpolynitroimidazoles in fuming HNO3 and concentrated H2SO4. 4,5-Dinitro-1-(nitromethyl)-1H-imidazole and 4,5-dinitro-1-(acetate methyl)-1H-imidazole were afforded by using 68 % HNO3 and concentrated H2SO4 through controllable synthesis. All the intermediates and the target compounds were confirmed by X-ray diffraction. It is noteworthy that one of the N-trinitromethyl nitroimidazole derivatives showed high density (ρ: 1.88 g cm?3), attractive positive oxygen balance (Ω: +18.3 %) and good detonation performance (D: 9003 m s?1) exceeding those of ADN, while N-nitromethyl derivative behaved higher thermal stability and lower sensitivity in contrast to those of NG. N-acetate methyl derivative gave an interesting melt-castable property (Tm.p.: 86 oC, Td: 224 oC), acceptable detonation performance as well as low sensitivity towards impact and friction (IS>40 J, FS>360 N), making it a competitive replacement for DNAN. These chemical and physical properties indicate that these novel materials show promising energetic performance towards future applications.
1,3-diaminoguanidine-2,4,5-trinitroimidazole salt and preparation method thereof
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Paragraph 0019, (2017/07/20)
The invention discloses a 1,3-diaminoguanidine-2,4,5-trinitroimidazole salt and a preparation method thereof, belongs to the technical field of organic energetic materials and aims at solving the problem in the prior art that a TNT-based melt-cast explosive harms the environment in the use process. The method comprises the steps of using imidazole as a reaction raw material to generate 2,4,5-trinitroimidazole through step-by-step nitrification; enabling a nitrification product to react with a potassium carbonate/potassium chloride solution to form a salt to prepare 2,4,5-trinitroimidazole potassium salt; and finally obtaining a target product 1,3-diaminoguanidine-2,4,5-trinitroimidazole salt through double-decomposition reaction of 1,3-diamino guanidine hydrochloride and the 2,4,5-trinitroimidazole potassium salt. The preparation method is simple, low in preparation cost and good in security; and the final product 1,3-diaminoguanidine-2,4,5-trinitroimidazole salt is high in purity.
