potassium;nitro-(3-nitroazanidyltriazol-1-ium-1-yl)azanide | 127654-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: potassium;nitro-(3-nitroazanidyltriazol-1-ium-1-yl)azanide
• CAS: 127654-49-3
• 化学式: C₂H₂N₇O₄*K
• 分子量: 227.181
• InChiKey: AFJULFZZXUJRQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.17
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  potassium;nitro-(3-nitroazanidyltriazol-1-ium-1-yl)azanide 、 silver nitrate 以 水 为溶剂， 以0.81 g的产率得到
  参考文献：
  名称：

  1,3-Bis(nitroimido)-1,2,3-triazolate Anion, theN-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials

  摘要：

  This unique study reports on the 1,3-bis-(nitroimido)-1,2,3-triazolate anion. This compound provides unique insight into both academic and practical considerations surrounding high-nitrogen systems. The bonding in this energetic anion can be represented multiple ways, one of which includes a chain of alternating positive/negative charges nine atoms long. The validity of this resonance structure is discussed in terms of experimental, computational, and valence bond results. The prepared materials based on this energetic anion were also characterized chemically (infrared, Raman, NMR, X-ray) and as high explosives in terms of their energetic performances (detonation velocity, pressure, etc.) and sensitivities (impact, friction, electrostatic), and the 1,3-bis(nitroimido)-1,2,3-triazolate anion is found to be very high performing with high thermal stabilities while being quite sensitive to mechanical stimuli.

  DOI：

  10.1021/ja310384y
• 作为产物：
  描述：

  1,3-diamino-1,2,3-triazolium chloride 在 nitronium tetrafluoborate 、 potassium acetate 作用下， 生成 potassium;nitro-(3-nitroazanidyltriazol-1-ium-1-yl)azanide
  参考文献：
  名称：

  Synthesis of a new nitrogen-oxygen system, 1-nitramino-1,2,3-triazole-3-nitroimide salts

  摘要：

  DOI：

  10.1007/bf01168114

文献信息

• SHITOV, O. P.;VYAZKOV, V. A.;TARTAKOVSKIJ, V. A., IZV. AN CCCP. CEP. XIM.,(1989) N1, S. 2654-2655
  作者：SHITOV, O. P.、VYAZKOV, V. A.、TARTAKOVSKIJ, V. A.

  DOI：——

  日期：——