Polynitro-1,2,4-triazole\nEnergetic Materials with <i>N</i>‑Amino Functionalization

Trinitromethyl and <i>N</i>-amino groups were\ninnovatively\nincorporated into the framework of 1,2,4-triazole, resulting in 1-amino-5-nitro-3-(trinitromethyl)-1,2,4-triazole\n(<b>2</b>). Ammonium and hydrazinium salts of 1-amino-5-nitro-3-(dinitromethyl)-1,2,4-triazole\nwere synthesized by acidification, extraction, and neutralization\nwith bases from the potassium salt. All of the newly prepared energetic\ncompounds were comprehensively characterized by using infrared spectroscopy,\nelemental analysis, nuclear magnetic resonance spectroscopy, and single\ncrystal X-ray diffraction. Compound <b>2</b> exhibits favorable\nproperties such as positive oxygen balance (OB<sub>CO2</sub> = 5.8%),\nhigh density (1.88 g cm<sup>–1</sup>), good detonation performances\n(<i>v</i><sub>D</sub> = 8937 m s<sup>–1</sup>, <i>P</i> = 35.5 GPa), and appropriate friction sensitivity (FS\n= 144 N). The potassium salt <b>3</b> demonstrates good thermal\ndecomposition temperature (181 °C) and high density (1.98 g cm<sup>–1</sup>), while the ammonium salt and hydrazinium salt also\ndisplay good thermal decomposition temperatures of 183 and 176 °C,\nrespectively. Among these compounds, the ammonium salt exhibits the\nlowest mechanical sensitivities (FS = 144 N, IS = 6 J).