Synthesis of 2-Azido-4-nitroimidazole and Its Derivatives for High-Energy Materials

2‐Azido‐4‐nitroimidazole and its derivatives have been synthesized for energetic material applications. The synthesized compounds were fully characterized by ¹H, ¹³C NMR spectroscopy and elemental analysis. Most of them were determined by single crystal X‐ray diffraction. The calculated densities of the compounds range between 1.71 and 1.92 g·cm^?3. The calculated detonation pressures (P) for these derivatives fall in the range of 25.17 to 32.62 GPa and the detonation velocities (D) are distributed from 7.65 to 8.55 km·s^?1.