1,2,3,4,5-Pentafluoro-6-[fluoro-(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)methyl]benzene | 346722-56-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1,2,3,4,5-Pentafluoro-6-[fluoro-(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)methyl]benzene
• 英文别名: 1,2,3,4,5-pentafluoro-6-[fluoro-(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)methyl]benzene
• CAS: 346722-56-3
• 化学式: C₁₉HF₁₅
• 分子量: 514.193
• InChiKey: UMWWFWWMCCCJHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5-Pentafluoro-6-[fluoro-(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)methyl]benzene 、 三氯化硼 、 N,N-二甲基苯胺盐酸 在 n-butyllithium 作用下， 以 乙醚 、 正己烷 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  Synthesis, Structure, and Application of [PhNMe₂H][B{C₆F₄C(C₆F₅)₂F}₄]

  摘要：

  The new perfluorinated tetraaryl borate [B{C6F4C(C6F5)(2)F}(4)](-) (3) has been prepared and characterized. The X-ray structural analysis of [C6H5N(H)-(CH3)(2)][3] confirms the tetrahedral geometry about the boron. The performance of 3 as a weakly coordinating anion in ethylene polymerization was evaluated and compared with that of B(C6F5)(4)(-) and B(3,5-(CF3)(2)C6H3)(4)(-). The stability of 3 throughout polymerization was evaluated by analyzing anion residues in a polymer sample using mass spectroscopy.

  DOI：

  10.1021/om001080i

文献信息

• Synthesis, Structure, and Application of [PhNMe₂H][B{C₆F₄C(C₆F₅)₂F}₄]
  作者：George Rodriguez、Patrick Brant

  DOI：10.1021/om001080i

  日期：2001.5.1

  The new perfluorinated tetraaryl borate [BC6F4C(C6F5)(2)F}(4)](-) (3) has been prepared and characterized. The X-ray structural analysis of [C6H5N(H)-(CH3)(2)][3] confirms the tetrahedral geometry about the boron. The performance of 3 as a weakly coordinating anion in ethylene polymerization was evaluated and compared with that of B(C6F5)(4)(-) and B(3,5-(CF3)(2)C6H3)(4)(-). The stability of 3 throughout polymerization was evaluated by analyzing anion residues in a polymer sample using mass spectroscopy.