Preparation and Characterization of Cationic Energetic Salts of 5-Amino-3-[(2,4,6-trinitrophenyl)amino]-1H-1,2,4-triazole (APATO)

The synthesis and properties of some 5-amino-3-[(2,4,6-trinitrophenyl) amino]-1H-1,2,4-triazole (APATO) cationic salts are described. A detailed structure of one of the salts obtained, 5-amino-3-[(2,4,6-trinitrophenyl)amino]-1H-1,2,4-triazol-4-ium perchlorate (APATO·HClO4) was characterized using low temperature (173 K) single crystal X-ray diffraction: orthorhombic yellow block, space group ‘Pbc21’, crystal density at 173 K (calculated) and at 293 K (pycnom.) were 1.863 and 1.840 g/cm3, respectively. The APATO salts were characterized by spectroscopic methods and thermal analysis. Preliminary computer calculated energetic characteristics showed that the synthesized salts possess increased energetic characteristics, superior in comparison to the TNT. The APATO perchlorate salt may deserve special attention as a thermostable HEDM.