Ethane;trichloroalumane | 48000-49-3

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Ethane;trichloroalumane
• CAS: 48000-49-3
• 化学式: C₂H₅AlCl₃
• 分子量: 162.402
• InChiKey: HECPMRMVNOMDAQ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二氯乙基铝 、 lithium chloride 以 melt 为溶剂， 生成 Ethane;trichloroalumane
  参考文献：
  名称：

  Characterization of species in ethylaluminum dichloride molten salts by 27Al NMR

  摘要：

  A new room temperature melt containing 1-ethyl-3-methyl-imidazolium chloride (MEICl) and ethylaluminum dichloride (EtAlCl2) contains EtAlCl2 dimers and EtAlCl3- as determined by Al-27 NMR of neat EtAlCl, and a saturated LiCl-EtAlC12 solution at 60-degrees-C. The Al-27 NMR peaks in the MEICI-EtAlCl2 melt at 129 and 102 ppm are assigned to the dimers (cis and trans) of EtAlC1, (129 ppm) and EtAlCl3- (102 ppm), respectively. Semi-empirical calculations support the formation of EtAlCl3- over EtAlCl2 dimer formation from Cl- and EtAlCl2.

  DOI：

  10.1016/s0020-1693(00)85150-6

文献信息

• Characterization of species in ethylaluminum dichloride molten salts by 27Al NMR
  作者：Charles E. Keller、W.Robert Carper、Bernard J. Piersma

  DOI：10.1016/s0020-1693(00)85150-6

  日期：1993.7

  A new room temperature melt containing 1-ethyl-3-methyl-imidazolium chloride (MEICl) and ethylaluminum dichloride (EtAlCl2) contains EtAlCl2 dimers and EtAlCl3- as determined by Al-27 NMR of neat EtAlCl, and a saturated LiCl-EtAlC12 solution at 60-degrees-C. The Al-27 NMR peaks in the MEICI-EtAlCl2 melt at 129 and 102 ppm are assigned to the dimers (cis and trans) of EtAlC1, (129 ppm) and EtAlCl3- (102 ppm), respectively. Semi-empirical calculations support the formation of EtAlCl3- over EtAlCl2 dimer formation from Cl- and EtAlCl2.