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Keywords:

  • Nitrocarbamate;
  • Explosives;
  • High energetic oxidizer;
  • Crystal structure;
  • Sensitivities

Abstract

A new simple synthesis route for 2,2,2-trinitroethyl chloroformate (1), from easily available starting materials 2,2,2-trinitroethanol and phosgene is presented. 2,2,2-Trinitroethyl carbamate (2) was obtained by the reaction of 1 with aqueous ammonia. The nitration of 2 with anhydrous nitric acid and sulfuric acid yields 2,2,2-trinitroethyl nitrocarbamate (3), which has potential as a perchlorate free high energetic dense oxidizer with a high oxygen balance of Ω(CO2) = +14.9 %. The thermal stability was studied using differential scanning calorimetry and the energies of formation were calculated on the CBS-4M level of theory, as well as several detonation parameters and propulsion properties were determined. In addition to full spectroscopic characterization, X-ray diffraction studies were performed for 2 and 3.