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; v_D, 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.