Synthesis of a new energetic material with high density and detonation performance based on pyrazole–triazole backbones

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In this work, a relatively mild nitration method inducing the cleavage of the acetic acid group on the triazole ring was employed to synthesize a series of pyrazole–triazole based energetic compounds, including 3-(3,4-dinitro-1H-pyrazol-5-yl)-1H-1,2,4-triazole ( 4 ) and its corresponding ammonium ( 5 ), hydrazinium ( 6 ), and hydroxylammonium ( 7 ) salts. Compound 4 was obtained through a mild nitration strategy and exhibited excellent energetic characteristics, including a high density of 1.83 g·cm⁻³ and a detonation velocity of 8360 m·s⁻¹, surpassing those of RDX. Notably, compound 7 achieved a detonation velocity of 8920 m·s⁻¹. Importantly, this work proposes the possibility of cleaving the acetic acid moiety through nitration, providing a new approach in the synthesis of energetic materials. Overall, compound 4 achieves an impressive combination of thermal stability, detonation performance and mechanical insensitivity, making it a promising material for future high-performance energetic applications. It is also worth mentioning that the simple, inexpensive, and metal-free synthesis makes compound 4 suitable for large-scale industrial production as a thermally stable explosive.

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