Construction of p -nitropyrazole-1,3,4-triazole framework energetic compounds: towards a series of high-performance heat-resistant explosives

The energy and safety of energetic materials are often contradictory, so it is challenging to reach a good balance between high energy performance and molecular stability. In this study, a series of energetic materials based on the p -nitropyrazole-1,3,4-triazole framework were synthesized. Among all the new compounds, DPTO, DPPT, DPBT and PBPT exhibited excellent onset thermal stabilities with T d values of over 300 °C, while they own superior detonation velocity exceeding 8700 m s −1 (approaching that of RDX), and acceptable impact and friction sensitivities (IS ≥ 35 J, FS ≥ 288 N). It is worth mentioning that DPTO ( T d : 302 °C, D : 9103 m s −1 , IS: 35 J) exhibited a striking thermal decomposition temperature comparable to that of the HNS explosive ( T d : 318 °C, D : 7000 m s −1 , IS: 8.5 J), high detonation velocity approaching traditional high-energy compound HMX ( T d : 279 °C, D : 9144 m s −1 , IS: 6.3 J), and desirable sensitivity (IS = 35 J, FS = 288 N), which are rarely reported in the field of heat-resistant explosives. The remarkable overall performance of DPTO, DPPT, DPBT and PBPT strongly suggests them to be suitable candidates for high-performance heat-resistant explosives.