Molecular structure and thermal behavior of N-Benzoyl-3,3-dinitroazetidine

N-Benzoyl-3,3-dinitroazetidine (BDNAZ) has been synthesized and characterized by elemental analysis, FT-IR spectroscopy, 1 H NMR and X-ray single crystal diffraction technique. BDNAZ crystallizes in the monoclinic space group P 2 1 / c . Its thermal behavior was studied under a non-isothermal condition by DSC and TG/DTG methods, the value of E a and A of the exothermic decomposition reaction of BDNAZ are 143.19 kJ mol −1 and 10 14.34 s −1 , respectively. The specific heat capacity of BDNAZ was determined with a continuous C p mode of micro-calorimeter and theoretical calculation. The adiabatic time-to-explosion was evaluated as 109.9–124.4 s.