Synthesis and thermal analysis of 2-methyl-4,5-dicyano-2H-1,2,3-triazole

2-Methyl-4,5-dicyano-2H-1,2,3-triazole was synthesized with 4,5-dicyano-2H-1,2,3-triazole as the raw material for the first time. Its structure was characterized by elemental analysis, infrared spectrum, and nuclear magnetic resonance spectrum. The thermal stability of 2-methyl-4,5-dicyano-2H-1,2,3-triazole was investigated by TG-DSC technique. Its kinetic parameters including activation energy and pre-exponential factor were calculated by Kissinger equation. The combustion heat, heat of formation, impact and friction sensitivity of 2-methyl-4,5-dicyano-2H-1,2,3-triazole were measured. Also, 2-methyl-4-acylamino-5-cyano-2H-1, 2,3-triazole was formed by the hydrolysis of one of the cyano groups of the 2-methyl-4,5-dicyano-2H-1,2,3-triazole, and its single crystal was cultivated. The molecular structure of 2-methyl-4-acylamino-5-cyano-2H-1,2,3-triazole was determined using X-ray diffraction [triclinic P-1, a = 4.956(2) Å, b = 10.058(5) Å, c = 14.142(7) Å, β = 91.169(4)°, V = 658.7(6) ų, Z = 4]. It exhibited potential application prospect in gas generant, explosive, and solid propellant field.