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Synthesis, Characterization and Crystal structure of 3,4-Bis((4-chloro-3,5-dinitro-1H-pyrazol-1-yl)methyl)-furoxan
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School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210014,China

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    Abstract:

    A new high-energy compound 3,4-bis((4-chloro-3,5-dinitro-1H-pyrazol-1-yl)methyl)-furoxan was synthesized by using 4-chloropyrazole as raw material, and its single crystal was obtained by solvent evaporation. The structures of this compound and its intermediates were characterized by 1H and 13C NMR, FT-IR, DSC and TG, and the crystal structure of the product was characterized by X-ray single crystal diffraction. Results show that the compound belongs to the orthorhombic space group Pbca, a=10.1817(7) Å, b=16.1917(11) Å, c=21.7300(16) Å, V=3582.4(4) Å3α=90°, β=90°, γ=90°, Z=8, Dc=1.836 g·cm-1. The Kamlet-Jacobs semi-empirical equation was used to predict the explosion velocity of 8304 m·s-1 and the explosion pressure of 30.5 GPa. The sensitivities of this compound were measured by the BAM standard method, and the measured impact sensitivity is 9 J and the friction sensitivity is 180 N.

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朱莹芝,杨峰,许元刚,等.3,4-双((4-氯-3,5-二硝基-1H-吡唑-1-基)甲基)-氧化呋咱的合成、表征与晶体结构[J].含能材料,2021,29(4):278-284.
ZHU Ying-zhi, YANG Feng, XU Yuan-gang, et al. Synthesis, Characterization and Crystal structure of 3,4-Bis((4-chloro-3,5-dinitro-1H-pyrazol-1-yl)methyl)-furoxan[J]. Chinese Journal of Energetic Materials,2021,29(4):278-284.

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History
  • Received:November 23,2020
  • Revised:March 05,2021
  • Adopted:February 04,2021
  • Online: March 02,2021
  • Published: April 25,2021