CHINESE JOURNAL OF ENERGETIC MATERIALS
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Synthesis and Properties of 5,5′-Bis(trinitromethyl)-2,2′-dinitramide-3,3′-bi(1,2,4-triazole)
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Affiliation:

1School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China;2Beijing Institute of Technology Zhengzhou Research Institute, Zhengzhou 450000, China

Fund Project:

Grant support: National Natural Science Foundation of China (Nos. 22235003, 22575026)

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    Abstract:

    A novel dinitramine compound, 5,5''''-Bis(trinitromethyl)-2,2''''-dinitramide-3,3''''-bi(1,2,4-triazole) (3), was synthesized via N-amination and subsequent nitration of the starting material 3,3′-bi(1H,1′H-1,2,4-triazole)-5,5′-bis(trinitromethyl) (1). The structure of compound 3 was confirmed by X-ray single-crystal diffraction (XRD) and further characterized by infrared spectroscopy (IR), elemental analysis (EA), and nuclear magnetic resonance (NMR) spectroscopy. The enthalpy of formation for compound 3 was calculated using the isodesmic reaction method, while its detonation performance was predicted using the EXPLO5 code. Results indicate that compound 3 crystallizes in the monoclinic space group P21/n. The crystal density of the dihydrate (3·2H2O) is 1.937 g·cm-3 at 100 K. It exhibits an initial decomposition temperature of 92.6 ℃ and a calculated enthalpy of formation of 680.5 kJ·mol-1. Furthermore, its predicted detonation velocity and pressure are 8926 m·s-1 and 34.1 GPa, respectively, with a specific impulse of 257.7 s. Its integrated performance suggests its potential for use as an energetic oxidizer.

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贺逸飞,张辉,尹平,等.5,5′-二(三硝基甲基)-2,2′-二硝胺-3,3′-联-1,2,4-三唑的合成及性能[J].含能材料,2026,34(6):611-618.
HE Yi-fei, ZHANG Hui, YIN Ping, et al. Synthesis and Properties of 5,5′-Bis(trinitromethyl)-2,2′-dinitramide-3,3′-bi(1,2,4-triazole)[J]. Chinese Journal of Energetic Materials,2026,34(6):611-618.

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History
  • Received:January 28,2026
  • Revised:June 11,2026
  • Adopted:May 13,2026
  • Online: May 29,2026
  • Published: June 25,2026