Synthesis and properties of 3,4,5-trinitropyrazole-1-ol and its energetic salts

Abstract

3,4,5-Trinitropyrazole-1-ol and its nitrogen-rich salts were synthesized and well characterized by ¹H, ¹³C NMR (some with ¹⁵N NMR), and IR spectroscopy, and by elemental analysis. Additionally, the structures of the ammonium and triazolium 3,4,5-trinitropyrazole-olates were confirmed by single-crystal X-ray diffraction. With respect to measured or calculated properties, such as thermal stability (T_d, 118–186 °C), density (1.72–1.90 g cm⁻³), detonation performance (P, 28.77–36.40 GPa; vD, 8175–8676 m s⁻¹), and impact sensitivity (1–40 J), 3,4,5-trinitropyrazole-1-ol and its salts have the potential to be useful energetic materials.