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3-Trinitromethyl-4-nitro-5-nitramine-1H-pyrazole: a high energy density oxidizer

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Abstract

A novel oxygen-rich energetic compound, 3-trinitromethyl-4-nitro-5-nitramine-1H-pyrazole (5), was obtained by one-step nitration of 2-(3-amino-1H-pyrazol-5-yl)acetic acid (4). Compound 5 was characterized by IR and NMR spectroscopy, elemental analysis and differential scanning calorimetry (DSC). Additionally, the structure of compound 5 was further confirmed by X-ray crystallography. Compound 5 has a high density (1.90 g cm−3), positive heat of formation (0.99 kJ g−1) and positive oxygen balance (24.8%). The calculated detonation velocity (D = 9124 m s−1) and pressure (P = 37.2 GPa) are superior to those of RDX (D = 8795 m s−1, P = 34.9 GPa). The calculated specific impulse of compound 5 (262 s) is higher than that of AP (157 s) and ADN (202 s). The combination of these attractive properties makes it a promising high energy density oxidizer.

Graphical abstract: 3-Trinitromethyl-4-nitro-5-nitramine-1H-pyrazole: a high energy density oxidizer

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Publication details

The article was received on 27 May 2019, accepted on 02 Aug 2019 and first published on 05 Aug 2019


Article type: Paper
DOI: 10.1039/C9NJ02732G
New J. Chem., 2019, Advance Article

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    3-Trinitromethyl-4-nitro-5-nitramine-1H-pyrazole: a high energy density oxidizer

    H. Xiong, H. Yang and G. Cheng, New J. Chem., 2019, Advance Article , DOI: 10.1039/C9NJ02732G

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