trichloromethane; compound with chloride anion (1:1) | 20672-48-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: trichloromethane; compound with chloride anion (1:1)
• 英文别名: Chloroform;chloride
• CAS: 20672-48-4
• 化学式: CHCl₃*Cl
• 分子量: 154.831
• InChiKey: DRWMGJONTCWKES-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.01
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  trichloromethane; compound with chloride anion (1:1) 生成 氯仿 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  大气压下簇离子的平衡和反应性的测量：Cl-（CHCl3）0-2与甲基溴和甲基碘的反应

  摘要：

  Measurements by the kinetic ion mobility mass spectrometer (KIMMS) of (i) equilibrium constants for the clustering reactions X-(CHCl3)i-1 + CHCl3 half arrow right over half arrow left X-(CHCl3)i, where X- = Cl- and Br- and i = 1 or 2, (ii) single ion mobilities for the ions Cl-(CHCl3)0-2 and Br-(CHCl3)0-1, and (iii) rate constants for the S(N)2 nucleophilic displacement reactions of a distribution of chloride cluster ions, Cl-(CHCl3)0-2, with CH3Br and with CH3I in nitrogen buffer gas at atmospheric pressure are reported. A unique feature of the present equilibrium and kinetic measurements is that they are obtained from ion mobility measurements and, therefore, are not subject to potential sources of error that can accompany mass spectrometric-based measurements involving aperture sampling of a high-pressure ion source. Another unique feature of the present investigation is that the reactivity of a selected set of cluster ions is determined under physical conditions in which the individual ions are kinetically labile with respect to cluster decomposition and growth.

  DOI：

  10.1021/j100109a012
• 作为产物：
  描述：

  氯仿 在 盐酸 作用下， 生成 trichloromethane; compound with chloride anion (1:1)
  参考文献：
  名称：

  大气压下簇离子的平衡和反应性的测量：Cl-（CHCl3）0-2与甲基溴和甲基碘的反应

  摘要：

  Measurements by the kinetic ion mobility mass spectrometer (KIMMS) of (i) equilibrium constants for the clustering reactions X-(CHCl3)i-1 + CHCl3 half arrow right over half arrow left X-(CHCl3)i, where X- = Cl- and Br- and i = 1 or 2, (ii) single ion mobilities for the ions Cl-(CHCl3)0-2 and Br-(CHCl3)0-1, and (iii) rate constants for the S(N)2 nucleophilic displacement reactions of a distribution of chloride cluster ions, Cl-(CHCl3)0-2, with CH3Br and with CH3I in nitrogen buffer gas at atmospheric pressure are reported. A unique feature of the present equilibrium and kinetic measurements is that they are obtained from ion mobility measurements and, therefore, are not subject to potential sources of error that can accompany mass spectrometric-based measurements involving aperture sampling of a high-pressure ion source. Another unique feature of the present investigation is that the reactivity of a selected set of cluster ions is determined under physical conditions in which the individual ions are kinetically labile with respect to cluster decomposition and growth.

  DOI：

  10.1021/j100109a012

文献信息

• Hydrogen bonding in gas-phase anions. An experimental investigation of the interaction between chloride ion and Broensted acids from ion cyclotron resonance chloride exchange equilibriums
  作者：J. W. Larson、T. B. McMahon

  DOI：10.1021/ja00315a008

  日期：1984.2
• Measurements of equilibria and reactivity of cluster ions at atmospheric pressure: reactions of Cl-(CHCl3)0-2 with methyl bromide and methyl iodide
  作者：K. Giles、E. P. Grimsrud

  DOI：10.1021/j100109a012

  日期：1993.2

  Measurements by the kinetic ion mobility mass spectrometer (KIMMS) of (i) equilibrium constants for the clustering reactions X-(CHCl3)i-1 + CHCl3 half arrow right over half arrow left X-(CHCl3)i, where X- = Cl- and Br- and i = 1 or 2, (ii) single ion mobilities for the ions Cl-(CHCl3)0-2 and Br-(CHCl3)0-1, and (iii) rate constants for the S(N)2 nucleophilic displacement reactions of a distribution of chloride cluster ions, Cl-(CHCl3)0-2, with CH3Br and with CH3I in nitrogen buffer gas at atmospheric pressure are reported. A unique feature of the present equilibrium and kinetic measurements is that they are obtained from ion mobility measurements and, therefore, are not subject to potential sources of error that can accompany mass spectrometric-based measurements involving aperture sampling of a high-pressure ion source. Another unique feature of the present investigation is that the reactivity of a selected set of cluster ions is determined under physical conditions in which the individual ions are kinetically labile with respect to cluster decomposition and growth.