High-density 1,3,4-oxadiazole nitrate and its salts as new melt-casting explosive materials

Abstract

ABSTRACT Density is one of the important parameters of energetic materials. A class of high-density energetic materials was synthesized by a simple method, and all compounds were characterized by NMR, IR, and DSC, and the structures of some compounds were analyzed using single-crystal X-ray diffraction. (5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl)methyl nitrate (3) (NOMN) showed an outstanding density of 1.898 g/cm3 at 149 K. and the densities of the other compounds exceeded 1.76 g/cm3 at room temperature. Thermal analysis showed that (5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl)methyl nitrate (3) and 4-amino-1,2,4-triazolium(5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl) methyl nitrate (3 c) have suitable melting points (86.67°C and 85.65°C) for use as casting materials. The detonation velocity and detonation pressure were calculated by EXPLO5 (v6.01) software, and all compounds showed good explosive performance. The detonation velocity of compound 5-aminotetrazolium (5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl)methyl nitrate (3e) exceeded that of RDX, but was slightly lower than that of HMX, reaching 9142 m/s. In summary, this series of 1,3,4-oxadiazole-based energetic materials has enriched the family of molten cast carriers and provided new options for the preparation of molten cast explosives.