Trinitromethyl groups-driven fused high energy compound featuring superior comprehensive performances

Balancing the inherent contradiction between energy and stability (especially for thermal stability) is particularly challenging in the design and synthesis of novel trinitromethyl energetic compounds. In this study, the stable trinitromethyl derivatives of TNFH and 8 were synthesized with three or four steps, and further structurally characterized by NMR, elemental analysis, infrared (IR) and single crystal X-ray diffraction. It is worth mentioning that the TNFH exhibit highest decomposition temperature (onset, 205 °C) among those trinitromethyl based high explosives to date. Since the existing contradiction between energy and safety, there are rarely trinitromethyl derivatives with similar detonation performance and insensitivity compared with the currently used strongest military explosive HMX. Thanks to the stable vicinal amino-nitro group of fused polycyclic motifs, TNFH exhibits excellent comprehensive performance over HMX (ρ: 1.905 g cm−3, D: 9144 m s−1, P: 39.3 GPa, IS: 7.5 J, FS: 120 N), including a high density of 1.947 g cm−3, superior detonation velocity and pressure (D: 9492 m s−1, P: 41.0 GPa), lower impact and friction sensitivity (IS: 12 J, FS: 192 N), thereby demonstrating great practical application potential as a substitute for HMX.