α,β-dichlorodecafluoroisopropylbenzene | 13040-60-3

• 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: α,β-dichlorodecafluoroisopropylbenzene
• CAS: 13040-60-3
• 化学式: C₉Cl₂F₁₀
• 分子量: 368.989
• InChiKey: JBPPVGZMWSGZID-UHFFFAOYSA-N

物化性质

• 沸点：
  182.1±40.0 °C(Predicted)
• 密度：
  1.750±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  α,β-dichlorodecafluoroisopropylbenzene 在 四氟乙烯 作用下， 生成 perfluoro-1-methylindan
  参考文献：
  名称：

  Thermolytic transformations of polyfluoroorganic compounds

  摘要：

  The reaction of alpha,alpha-dichlorooctafluoroethylbenzene with tetrafluoroethylene as a source of difluorocarbene has been studied. The copyrolysis of these compounds gave not only the expected products, decafluoro-alpha-methylstyrene and alpha-chloroheptafluorostyrene, but also noticeable amounts of perfluoro-1-methylindan and perfluoro-7-methylbicyclo[4.3.0]nona-1,4,6-triene along with perfluoro-3-methylindene and octafluorostyrene. It has been suggested that indan and the triene are formed with the participation of the C6F5CClCF3 radical through sigmatropic shifts of fluorine atoms in the intermediate bicyclic compounds. The reaction of alpha,alpha-dichlorodecafluoropropylbenzene with tetrafluoroethylene afforded alpha-chloroheptafluorostyrene as the main product.

  DOI：

  10.1007/bf00697041
• 作为产物：
  描述：

  (1,1-二氯-2,2,2-三氟乙基)五氟苯 在 四氟乙烯 、 五氯化磷 作用下， 反应 8.0h， 生成 α,β-dichlorodecafluoroisopropylbenzene
  参考文献：
  名称：

  Thermolytic transformations of polyfluoroorganic compounds

  摘要：

  The reaction of alpha,alpha-dichlorooctafluoroethylbenzene with tetrafluoroethylene as a source of difluorocarbene has been studied. The copyrolysis of these compounds gave not only the expected products, decafluoro-alpha-methylstyrene and alpha-chloroheptafluorostyrene, but also noticeable amounts of perfluoro-1-methylindan and perfluoro-7-methylbicyclo[4.3.0]nona-1,4,6-triene along with perfluoro-3-methylindene and octafluorostyrene. It has been suggested that indan and the triene are formed with the participation of the C6F5CClCF3 radical through sigmatropic shifts of fluorine atoms in the intermediate bicyclic compounds. The reaction of alpha,alpha-dichlorodecafluoropropylbenzene with tetrafluoroethylene afforded alpha-chloroheptafluorostyrene as the main product.

  DOI：

  10.1007/bf00697041