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Issue 4, 2019
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Energetic C-trinitromethyl-substituted pyrazoles: synthesis and characterization

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Abstract

A new family of C-trinitromethyl-substituted pyrazoles was designed and obtained in good yields by the reaction of N2O4 with the pyrazolecarbaldehyde oxime followed by further N-nitration and C-nitration. All of the new compounds were fully characterized by IR and NMR spectroscopy, elemental analysis and differential scanning calorimetry (DSC). Compounds 2 and 3 were further confirmed by X-ray crystallography. These pyrazole derivatives have good densities, positive enthalpies of formation and acceptable sensitivity values. Theoretical calculations carried out using Gaussian 03 and EXPLO5 program demonstrate good to excellent detonation velocities and pressures in the range of ADN and HMX. Compound 3 exhibiting a positive oxygen balance, high specific impulse and moderate thermal stability is a promising high energy density oxidizer.

Graphical abstract: Energetic C-trinitromethyl-substituted pyrazoles: synthesis and characterization

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Supplementary files

Article information


Submitted
29 Nov 2018
Accepted
27 Dec 2018
First published
28 Dec 2018

Dalton Trans., 2019,48, 1524-1529
Article type
Paper

Energetic C-trinitromethyl-substituted pyrazoles: synthesis and characterization

Y. Zhang, Y. Li, J. Hu, Z. Ge, C. Sun and S. Pang, Dalton Trans., 2019, 48, 1524 DOI: 10.1039/C8DT04712J

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