Hydroxylammonium 5‐Nitriminotetrazolates

The hydroxylammonium salts of monodeprotonated 5‐nitriminotetrazole ( 4 ), double deprotonated 5‐nitriminotetrazole ( 5 ), 1‐methyl‐5‐nitriminotetrazole ( 6 ), and 2‐methyl‐5‐nitraminotetrazole ( 7 ) have been prepared in high yield from the corresponding 5‐nitriminotetrazoles as free acids and an aqueous solution of hydroxylamine or the metathesis reactions of hydroxylammonium hydrochloride with the silver salt of the corresponding nitriminotetrazole, respectively. The energetic salts 4 – 7 were fully characterized by single‐crystal X‐ray diffraction ( 4 – 6 ), NMR spectroscopy, IR‐ and Raman spectroscopy as well as DSC measurements. The sensitivities towards impact, friction and electrical discharge were determined. In addition, several detonation parameters (e.g. heat of explosion, detonation velocity) were computed by the EXPLO5.04 computer code based on calculated (CBS‐4M) heats of formation and X‐ray densities.