A High-Density, Thermally Stable Energetic Compound: Strategic Integration of Furazan and Triazole Rings via a C–N Methylene Bridge

The development of energetic materials that simultaneously achieve high energy density and low sensitivity remains a challenging objective. This study presents the synthesis and characterization of a novel C–N methylene bridged compound, 2, strategically integrating the backbones of furazan with 1,2,4-triazole. This molecular design exploits the high nitrogen–oxygen content of furazan and the stability of triazole, while further nitration enhances the overall performance. Compound 2 exhibits an outstanding balance of energetic properties and molecular stability, featuring a high density (1.84 g·cm–3), superior thermal stability (Td = 267 °C), and remarkable insensitivity (IS > 40 J). Its calculated detonation performance (D = 8425 m·s–1, P = 29.51 GPa) surpasses that of the classic explosive TNT. This work demonstrates the C–N methylene bridging strategy as a highly effective approach for designing high-performance and low-sensitivity energetic materials.