A Novel Synthesis, Characterization and Performances of 1,3,5‐Trinitro‐2,2‐bis(trifluoromethyl)‐1,3,5‐triazinane.

A novel synthetic method of the 1, 3, 5‐trinitro‐2, 2‐bis(trifluoromethyl)‐1,3,5‐triazinane (2) has been successfully developed. In addition to IR, 1H 13C NMR and elemental analysis, compound 2 was characterized by 15N NMR and X‐ray single crystal diffraction. Due to the introduction of trifluoromethyl, the density of compound 2 is up to 2.04 g⋅cm−3 at 298 K, which is consistent with its crystal density (2.059 g⋅cm−3, 296(2) K). Compound 2 exhibits excellent detonation pressures and velocities (P, 45.6 GPa; vD, 9564 m⋅s−1), as good as exceptional impact and friction sensitivities(IS, 22.5 J; FS, >360 J). Some of these values are better than the current benchmark explosives, such as 1, 3, 5‐trinitrodihydro‐1, 3, 5‐triazine (RDX) and cyclo‐1, 3, 5, 7‐tetramethylenene‐2, 4, 6, 8‐tetranitramine (HMX).It is a potential high energy density material. [ABSTRACT FROM AUTHOR]