Combination of N‐amino‐1,2,4‐triazole and 4‐hydroxy‐3,5‐dinitropyrazole for the synthesis of high performing explosives

Abstract In an attempt to cultivate energy‐stability balance, a series of nitrogen and oxygen‐rich high energy density materials were synthesized based on N ‐substituted 4‐hydroxy‐3,5‐dinitropyrazole and methylene‐linked N ‐amino‐1,2,4‐bridges. The hydroxy substituent contributed to oxygen content, hydrogen bonding, and tunability via salt formation. On the other hand, the triazole bridge delivered high nitrogen content and thermal stability. All the synthesized compounds were characterized with multinuclear NMR, FTIR, HRMS, and elemental analysis, and their physicochemical and energetic properties were analyzed. Energetic materials 1 – 5 showed high detonation performance and adequate overall stabilities. Compound 1 exhibited higher density (1.84 g/cm 3 ) and detonation performance ( D v = 8103 m/s, P = 26.9 GPa) in comparison to its reported amino derivative.