High Thermal Stability and Insensitive Fused Triazole-Triazine Trifluoromethyl-Containing Explosives (TFX).

A trifluoromethyl-containing fused triazole-triazine energetic molecule, 3-nitro-7-(trifluoromethyl)-1,2,4-triazolo[5,1-]-1,2,4-triazin-4-amine (TFX), has been synthesized in three steps from amino guanidine bicarbonate and trifluoroacetic acid. The process was found to be effective, nontoxic, and simple. The X-ray structure analysis of TFX finds that there are inter- and intramolecular hydrogen bonds and π-π interactions in the crystal lattice. TFX with a high density (1.88 g·cm) at room temperature, excellent thermal stability ( = 300.3 °C), moderate energetic performance, and with insensitivity to mechanical stimulation has potential as heat-resistant energetic materials.