CHINESE JOURNAL OF ENERGETIC MATERIALS
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3-(1H-四唑)-7-(三氟甲基)-1,2,4-三唑[5,1-c]-1,2,4-三嗪-4-氨基的制备及性能
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南京理工大学 化工学院

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国家自然科学基金(22105102,22135003)


Synthesis and Properties of 3-(1H-Tetrazol-5-yl)-7-(trifluoromethyl)-1,2,4-triazolo[5,1-c]-1,2,4-triazin-4-amine
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School of Chemical Engineering, Nanjing University of Science & Technology

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    摘要:

    以5-(三氟甲基)-1,2,4-三唑-3-胺为原料,两步合成了一种含氟稠环含能化合物3-(1H-四唑)-7-(三氟甲基)-1,2,4-三唑[5,1-c]-1,2,4-三嗪-4-氨基(2)。采用X射线单晶体衍射仪确定了目标化合物的晶体结构,通过核磁共振、傅里叶红外光谱、差示扫描量热仪对其进行了结构测试与性能表征,通过EXPLO5预测了爆轰性能,采用BAM标准方法进行了感度测定。结果表明,合成过程高效、无毒、简单,所得目标化合物的晶体2·DMF属于三斜晶系,Pī空间群,晶胞参数a=4.9035(10) ?,b=10.219(2) ?,c=15.194(3) ?,V=720.4(3) ?3α=107.163(6)°,β=92.486(7)°,γ=96.4438(7)°,Z=2;其理论爆速爆压分别为6933 m·s-1和17.1 GPa,撞击感度>40 J,摩擦感度>360 N。

    Abstract:

    A trifluoromethyl-containing fused triazole-triazine energetic molecule, 3-(1H-tetrazol-5-yl)-7-(trifluoromethyl)-1,2,4-triazolo[5,1-c]-1,2,4-triazin-4-amine (2), was synthesized in two steps from 5-(trifluoromethyl)-1,2,4-triazol-3-amine. The crystal structure of this compound was characterized by X-ray single crystal diffraction. Its structure and properties were characterized by 1H and 13C Nuclear Magnetic Resonance Spectroscopy (NMR), Fourier Transform infrared spectroscopy (FT-IR) and differential scanning calorimetry (DSC). The detonation performance of compound 2 was predicted by EXPLO5 and and sensitivity testing was performed according to the BAM standard method. Results shows that compound 2 belongs to the triclinic space group Pī, a=4.9035(10) ?, b=10.219(2) ?, c=15.194(3) ?, V=720.4(3) ?3α=107.163(6)°,β=92.486(7)°,γ=96.4438(7)°, Z=2. The theoretical detonation velocity and pressure of compound 2 are 6933 m·s-1 and 17.1 GPa, respectively. Its measured impact sensitivity is more than 40 J and the friction sensitivity is larger than 360 N.

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张荣政,陆明,许元刚. 3-(1H-四唑)-7-(三氟甲基)-1,2,4-三唑[5,1-c]-1,2,4-三嗪-4-氨基的制备及性能[J]. 含能材料,DOI:10.11943/CJEM2024053.

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  • 收稿日期: 2024-02-06
  • 最后修改日期: 2024-05-23
  • 录用日期: 2024-05-10
  • 在线发布日期: 2024-05-17
  • 出版日期: