p-fluoroanilinium | 29131-39-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: p-fluoroanilinium
• 英文别名: p-fanilinium；4-fluoro-aniline; protonated form；4-fluoro-anilinium cation；4-Fluoranilinium-Kation；p-Fluoranilinium；(4-Fluorophenyl)azanium
• CAS: 29131-39-3
• 化学式: C₆H₇FN
• 分子量: 112.127
• InChiKey: KRZCOLNOCZKSDF-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-氯-4-氟苯 在 氨 作用下， 生成 p-fluoroanilinium
  参考文献：
  名称：

  Chemical Reactivity in Microscopic Systems: The Nucleophilic Substitution of Halogenated Benzene Ions by Ammonia Studied in Molecular Clusters

  摘要：

  The reactivity of small dihalogenated benzene ions clustered with ammonia has been investigated through mass-selected two-color two-photon ionization. Two reaction channels are evidenced: halogen elimination and hydrogen halide elimination. Appearance thresholds of the different reactive paths have been measured as well as the kinetics of the reactions. From these measurements, a new reactive scheme is proposed.

  DOI：

  10.1021/j100037a020

文献信息

• Ionic substitution reaction in small dihalogenated benzene-(NH3) clusters studied through threshold photoelectron-photoion coincidences
  作者：C. Dedonder-Lardeux、I. Dimicoli、C. Jouvet、S. Martrenchard-Barra、M. Richard-Viard、D. Solgadi、M. Vervloet

  DOI：10.1016/0009-2614(95)00521-5

  日期：1995.6

  Substitution reactions in small ionic fluorochlorobenzene-(NH3)n clusters have been studied through threshold photoelectron-photoion coincidence techniques using synchroton radiation. In this experiment the internal energy of the cluster ion is well defined and therefore the change of the reactive pathways with the internal energy content of the parent ion can be evidenced.

  通过阈值光电子-光子重合技术，采用同步辐射，研究了离子型小氟氯苯-（NH 3）n簇中的取代反应。在该实验中，团簇离子的内部能量得到了很好的定义，因此可以证明反应路径随母体离子的内部能量含量的变化。
• Thölmann, Detlef; Grützmacher, Hans-Friedrich, Journal of the American Chemical Society, 1991, vol. 113, # 9, p. 3281 - 3287
  作者：Thölmann, Detlef、Grützmacher, Hans-Friedrich

  DOI：——

  日期：——
• Brutschy, Bernhard, Berichte der Bunsen-Gesellschaft, 1992, vol. 96, # 9, p. 1154 - 1160
  作者：Brutschy, Bernhard

  DOI：——

  日期：——
• Chemical Reactivity in Microscopic Systems: The Nucleophilic Substitution of Halogenated Benzene Ions by Ammonia Studied in Molecular Clusters
  作者：S. Martrenchard-Barra、C. Dedonder-Lardeux、C. Jouvet、U. Rockland、D. Solgadi

  DOI：10.1021/j100037a020

  日期：1995.9

  The reactivity of small dihalogenated benzene ions clustered with ammonia has been investigated through mass-selected two-color two-photon ionization. Two reaction channels are evidenced: halogen elimination and hydrogen halide elimination. Appearance thresholds of the different reactive paths have been measured as well as the kinetics of the reactions. From these measurements, a new reactive scheme is proposed.