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Download fileSynthesis and Properties of Energetic Hydrazinium 5‑Nitro-3-dinitromethyl‑2H‑pyrazole by Unexpected Isomerization of N‑Nitropyrazole
journal contribution
posted on 2019-11-07, 13:03 authored by Yiying Zhang, Yanan Li, Tao Yu, Yingzhe Liu, Sanping Chen, Zhongxue Ge, Chenghui Sun, Siping PangA new
energetic salt, hydrazinium 5-nitro-3-dinitromethyl-2H-pyrazole, was synthesized using 1-nitro-3-trinitromethylpyrazole
and hydrazine as raw materials and fully characterized by IR and NMR
spectroscopy, elemental analysis, and X-ray crystallography. The isomerization
of N-nitropyrazole in the reaction condition was
first reported and the possible mechanism was explained by the density
functional theory method. The salt has good density, high positive
enthalpy of formation superior to those of the RDX and HMX, and good
detonation properties comparable to those of RDX. By denitration and
isomerization reactions, the salt gains a better thermal stability
and lower sensitivity toward impact and friction compared with its
parent compound. Based on an overall energetic evaluation, the salt
has a promising future as an alternative explosive. The research also
contributes to the synthesis and application of polynitro-substituted N-heterocyclic compounds as energetic materials.
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Keywords
RDXHMXdensitypolynitro-substituted Ndetonation propertiesparent compoundX-ray crystallography1- nitro -3-trinitromethylpyrazoleisomerization reactionsNMR spectroscopyIRmaterialhydrazinium 5- nitro -3-dinitromethyl Hheterocyclic compoundstheory methodreaction conditionUnexpected Isomerizationsalt gains