[³⁵Cl₂]dichloro-difluoro-methane | 61996-76-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: [³⁵Cl₂]dichloro-difluoro-methane
• 英文别名: Dichlor-difluor-methan-<³⁵Cl>；Dichlordifluormethan-³⁵Cl2；bis(35Cl)(chloranyl)-difluoromethane
• CAS: 61996-76-7
• 化学式: CCl₂F₂
• 分子量: 120.008
• InChiKey: PXBRQCKWGAHEHS-VTTDIVQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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：
  2

反应信息

• 作为产物：
  描述：

  二氟乙酸 在 chlorine 作用下， 反应 6.0h， 以66%的产率得到
  参考文献：
  名称：

  Microscale preparation of isotopically enriched CF235Cl37Cl

  摘要：

  Isotopically enriched (CF2ClCl)-Cl-35-Cl-37 (similar to 94% isotopic purity) has been synthesised by a three-step reaction. CHF2CO2H, Cl-35(2) (99% isotopic purity) and Cl-37(2) (95% isotopic purity) have been used as reactants. intermediate products (CF2ClCO2H)-Cl-35 and (CF2ClCO2Ag)-Cl-35 have been obtained. The yield of spectroscopically pure (CF2ClCl)-Cl-35-Cl-37, With respect to CHF2CO2H, is ca. 18%. Isotopic enrichment of (CF2ClCl)-Cl-35-Cl-37 has been checked employing the splitting of chlorine isotopes observed in the gas-phase infrared spectrum for the nu(6) band region. The preparation has been improved to 1 mmol scale, obtaining a sample suitable for infrared measurements.The selective process is a general method to synthesise alternatively the three isotopic species (CF2ClCl)-Cl-35-Cl-37, (CF2Cl2)-Cl-35 and (CF2Cl2)-Cl-37. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00342-x