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Tailoring the Energetic Properties of Pyrazole Hybrids through Functionalization with Dinitromethyl and
Vikranth Thaltiri1, Richard J Staples2, Jean'ne M Shreeve1
1Department of Chemistry, University of Idaho, Moscow, Idaho 83844-2343, United States.
Abstract:
The functionalization of pyrazole-based compounds with dinitromethyl and N-hydroxytetrazole groups resulted in enhanced energetic properties. Two key compounds, 5-(dinitromethyl)-3,4-dinitro-1H-pyrazole (5) and 5-(3,4-dinitro-1H-pyrazol-5-yl)-1H-tetrazol-1-ol (7), along with their salts, were synthesized and evaluated for their energetic properties. Notably, the bishydroxylammonium salts 5b (Dv: 8778 m·s-1; P: 33.1 GPa) and 7b (Dv: 8988 m·s-1; P: 34.6 GPa) demonstrated an optimal balance between high detonation performance, good thermal stability, and low sensitivity, outperforming RDX, and positioning them as promising candidates for advanced secondary energetic materials.
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