1-ethyl-3-methylimidazolium tetrabromoaluminate(III) | 111378-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-ethyl-3-methylimidazolium tetrabromoaluminate(III)
• 英文别名: 1-Ethyl-3-methylimidazol-3-ium;tetrabromoalumanuide；1-ethyl-3-methylimidazol-3-ium;tetrabromoalumanuide
• CAS: 111378-56-4
• 化学式: AlBr₄*C₆H₁₁N₂
• 分子量: 457.764
• InChiKey: NFZJFTLBAVQRHF-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  三溴化铝 、 1-乙基-3-甲基溴化咪唑 以 neat (no solvent) 为溶剂， 生成 1-ethyl-3-methylimidazolium tetrabromoaluminate(III)
  参考文献：
  名称：

  Hydrogen bonding in imidazolium salts and its implications for ambient-temperature halogenoaluminate(III) ionic liquids

  摘要：

  The salts [emim]X (X = Br or I, emim = 1-ethyl-3-methylimidazolium) and [emim][AlBr4-] have been prepared as solid-state models of the [emim]X-AlX(3) (X = Cl or Br) ionic liquid systems. All three have been characterised crystallographically. The salts [emim]X (X = Br or I) are isomorphous and are composed of ions in an extended hydrogen-bonded network. The implications of these results for both the structure and solvent properties of the ionic liquids are discussed.

  DOI：

  10.1039/dt9950003467