Synthesis,Crystal Structure and Properties of 1,3,5-Tris(methylnitroamino)-2,4,6-trinitrobenzene
1,3,5-Tris(methylnitroamino)-2,4,6-trinitrobenzene(3)was synthesized through methylamination and nitration starting from 1,3,5-trichloro-2,4,6-trinitrobenzene(1,TCTNB),of which the optimal process was obtained with a total yield up to 74.7％.Compound 3 and its intermediate were characterized by FT-IR,NMR,DSC-TG,X-ray single-crystal diffraction,etc.Crystal data show compound 3 crystal belongs to a triclinic system with space group P1.The thermal decomposition kinetic parameters of compound 3 were calculated by Kissinger,Rogers and Arrhenius methods,showing that the apparent activation energy,Ea,is 157.81 kJ mol-1,the pre-exponential factor,A,is 12.79 × 1016 min-1,the decomposition rate constant,k,is 2.91 ×1011,and the thermal explosion critical point,Tb,is 206.52 ℃.The detonation velocity and detonation pressure of compound 3 were 7 990 m·s-1 and 26.6 GPa through Kamlet-Jacobs equation calculation.
万方数据
维普
