一种新型高氮含能化合物5-((5-硝基-2 H -四唑-2-基)甲基)-1 H -四唑-1-醇的合成与表征

Using 5-aminotetrazole as starting material, a novel high nitrogen energetic compound 5-((5-nitro-2H-tetrazol-2yl)methyl)-1H-tetrazol-1-ol was synthesized with a total yield of 19% via diazotization-nitration, alkylation, oximation, diazotization-chlorination, azidation and cyclization. It was characterized by NMR, MS, IR and elemental analysis. The crystal structure of this compound was determined by X-ray single crystal diffraction analysis. The results indicated that it belonged to monoclinic system with space group P2(1), and the crystal parameters were a=3.3619(11) A, b=9.3910(19) A, c= 8.2060(16) A, β=101.44(3)°, Z=2, Dc=1.748 g•cm , μ=0.153 mm, F(000)=216. The thermal properties were studied by differential scanning calorimeter (DSC) and thermogravimetric (TG) analyzer analyses, which showed that the decomposition temperature of target compound was 202.25 °C, and the mass loss due to overall reaction (130~320 °C) was 78.6%. The detonation velocity and detonation pressure of this compound calculated by Kamlet-Jacobs formula are 8500 m•s and 31.53 Gpa, respectively.