CHINESE JOURNAL OF ENERGETIC MATERIALS
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Synthesis and Properties of NN′-[5,5′-Bis(trinitromethyl)-3,3′-bi-1H-1,2,4-triazol-2,2′-diyl]dinitramine
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1School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China;2Beijing Institute of Technology Zhengzhou Research Institute, Zhengzhou 450000, China

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    Abstract:

    A novel dinitramine compound, N,N’-[5,5’-bis(trinitromethyl)-3,3’-bi-1,2,4-triazol]dinitramide (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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HE Yi-fei, ZHANG Hui, YIN Ping, et al. Synthesis and Properties of NN′-[5,5′-Bis(trinitromethyl)-3,3′-bi-1H-1,2,4-triazol-2,2′-diyl]dinitramine[J]. Chinese Journal of Energetic Materials(Hanneng Cailiao),DOI:10.11943/CJEM2026025.

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