5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole

Abstract

The molecule of the title compound, C(2)H(2)N(6)O(4), consists of three planar fragments, namely a tetrazole ring, a nitromethyl group and a nitro group. The nitro group and the tetrazole cycle are arranged in the same plane, but the planar nitromethyl group is located nearly orthogonal to this plane. The molecules are packed in the crystal via van der Waals interactions.

Synthesis and Characterization of 5-Nitro-2-nitratomethyl-1,2,3,4-tetrazole: A High Nitrogen Energetic Compound with Good Oxygen Balance

“…Nitrate esters are one of the oldest classes of energetic materials which display easy syntheses, high oxygen content and good combustion characteristics. The 2-substituted 5-nitrotetrazoles, especially those with oxygen-containing group substituents, have good oxygen balance and high density [10,11,12,13]. To the best of our knowledge, although the synthesis of 5-nitro-2-nitratomethyl-1,2,3,4-tetrazole (5-nitro-1,2,3,4-tetrazole-2-ylmethyl nitrate, 4 ) has been performed in the past [10], no physical properties or proof of structure were given for the compound.…”

Theoretical Investigation on the Nitrogen-Rich Energetic Compound 5-Nitro-2-Nitratomethyl-1,2,3,4-Tetrazole

“…The introduction of nitrate ester groups into the tetrazole ring may increase the number of oxygen atoms and push the limits of wellexplored tetrazole chemistry into a new, unexplored, dimension. Two-substituted 5-nitrotetrazoles, especially those with oxygen-containing group substituents, have a good oxygen balance and a high density [ 14,15 ].…”