Synthesis, Structure, Thermal Behavior And Safety Of Tetrazine Derivatives

Energetic materials is a kind of special compounds, the heterocyclic of this compounds have high content of nitrogen relatively. When they react violently, release heat and gas speedly, to achieve the destructive and propulsion. After about one hundred years of research, the energetic material have been a variety of structure and characteristics. Our laboratory main study the energetic compounds that based the s-triazines, which has good thermal properties and safety performance, they are novel insensitive energetic compounds. Compared to other energetic materials, the s-triazines compounds exhibit a series of excellent properties, so the research of such energetic compounds have very important application prospect.3,6-bis(3,5-dimethylpyrazol-1-yl)-S-terazine(BT) was synthesized by the optimization scheme, then BT derivatives were synthesized, the 3,6-dinitroguanidine-S-terazine (DNGTz) and its derivatives; 3-(3,5-dimethylpyrazol-1-yl)-6-hydrazino-S-terazine(DAHTz) and its derivatives.The single crystals of 3,6-dinitroguanidine-S-terazine,guanidine salt (G2DNGTZ) and 3,6-dinitroguanidine-S-terazine,aminoguanidine salt (AG2DNGTZ) obtained from the test tube; The single crystals of 3-(3,5-dimethylpyrazol-1-yl)-6-(benzyl methylene) hydrazone-s-tetrazi(DAHBTz) and 3-(3,5-dimethylpyrazol-1-yl)-6-hydrazino-S-terazine,dinitrosalicylic salt(DAHTz·DNSA-H2O) obtained from the beaker, and the structures were determined and analysised by a single-crystal X-ray diffractometer:G2DNGTz:C6H16N18O4, Monoclinic, P21/c; AG2DNGTz:C6H18N20O4, Triclinic, P-1; DAHBTz:C4H14N8, Triclinic, P-1; DAHTz·DNSA-H2O:C4H14N10O8, Triclinic, P-1.In order to study the thermal properties of s-triazines, the compounds were studied under a non-isothermal condition by DSC/DTG techniques. The Kissinger, Ozawa and the integral method were carried out to determine the kinetic parameters, the apparent activation energy, the pre-exponential, the entropy of activation, enthalpy of activation free energy of activation were obtained.In order to evaluate the thermal explosion properties and thermal safety of the compounds in this paper, the material self accelerating decomposition temperature, the thermal explosion temperature and thermal ignition temperature are calculated. The specific heat capacity of the compounds were determined with continuous Cp mode of Micro-DSC Ⅲ, further the time-to-explosion were obtained.