1-Bromo-4H-hexafluoro-1,4-cyclohexadiene | 60903-81-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 1-Bromo-4H-hexafluoro-1,4-cyclohexadiene
• 英文别名: 1-Brom-2,3,3,5,6,6-hexafluor-cyclohexadien-(1,4)；2-Bromo-1,3,3,4,6,6-hexafluorocyclohexa-1,4-diene
• CAS: 60903-81-3
• 化学式: C₆HBrF₆
• 分子量: 266.968
• InChiKey: WCFSXQXNGLSJSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-溴-2,3,5,6-四氟苯 在 二氟代氙 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 以96%的产率得到1-Bromo-4H-hexafluoro-1,4-cyclohexadiene
  参考文献：
  名称：

  Fluorination of tetrafluorobenzenes C6HF4R with XeF2

  摘要：

  Replacement of hydrogen by fluorine and addition of fluorine atoms to the aromatic ring were found in the reaction of XeF2 with 1-R-2,3,4,5-tetrafluorobenzene (R = H, F, Br, NO2) or 1-R-2,3,4,6-tetrafluorobenzene (R = H, CF3) in HF or CH2Cl2-BF3 . OEt(2). Only fluorine addition took place in the case of 1-R-2,3,5,6-tetrafluorobenzenes (R = H, Br, CF3) or 1-Br-2,3,4,6-tetrafluorobenzene. The role of cation radicals as reactive intermediates is discusseed.

  DOI：

  10.1016/0022-1139(96)03401-x

文献信息

• Fluorination of tetrafluorobenzenes C6HF4R with XeF2
  作者：V.V. Bardin、L.N. Shchegoleva、H.J. Frohn

  DOI：10.1016/0022-1139(96)03401-x

  日期：1996.4

  Replacement of hydrogen by fluorine and addition of fluorine atoms to the aromatic ring were found in the reaction of XeF2 with 1-R-2,3,4,5-tetrafluorobenzene (R = H, F, Br, NO2) or 1-R-2,3,4,6-tetrafluorobenzene (R = H, CF3) in HF or CH2Cl2-BF3 . OEt(2). Only fluorine addition took place in the case of 1-R-2,3,5,6-tetrafluorobenzenes (R = H, Br, CF3) or 1-Br-2,3,4,6-tetrafluorobenzene. The role of cation radicals as reactive intermediates is discusseed.