| 93105-06-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• CAS: 93105-06-7
• 化学式: CCl₂FO
• 分子量: 117.915
• InChiKey: IDMHCAVGGYKOMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  -35.1~24.9 ℃ 、2.67 kPa 条件下， 生成 甲酰氯氟化物 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Time-resolved observation of the formation of carbonic difluoride and carbonic chloride fluoride in the chlorodifluoromethyl + oxygen and dichlorofluoromethyl + oxygen reactions: the unimolecular elimination of chlorine atoms from chlorodifluoromethoxy and dichlorofluoromethoxy radicals

  摘要：

  The unimolecular elimination of chlorine atoms from CF2ClO and CFCl2O radicals has been observed at 238 and 298 K, and at 4-20 Torr total pressure by measurement of the rate of formation of the carbonyl halide product in real time. The fragment ion (CFO)+ was found to be specific for the detection of CF2O and CFClO and was monitored by time-resolved mass spectrometry in flash photolysis of mixtures of CF2ClBr or CFCl3 with O2 and NO. These two Cl atom elimination reactions were verified to be very facile, even at low temperatures. The rate constants were estimated by regression analysis of experimentally measured formation curves of CF2O and CFClO, and decay curves of CF2ClO2 and CFCl2O2 were determined in the same experiments. The estimated 298 K rate constants are (6.4 +/- 1.4) x 10(4) s-1 for CF2ClO and (1.2 +/- 0.4) x 10(5) s-1 for CFCl2O.

  DOI：

  10.1021/j100183a046
• 作为产物：
  描述：

  Methyldioxy, dichlorofluoro- -35.1 ℃ 、799.93 Pa 条件下， 生成
  参考文献：
  名称：

  Time-resolved observation of the formation of carbonic difluoride and carbonic chloride fluoride in the chlorodifluoromethyl + oxygen and dichlorofluoromethyl + oxygen reactions: the unimolecular elimination of chlorine atoms from chlorodifluoromethoxy and dichlorofluoromethoxy radicals

  摘要：

  The unimolecular elimination of chlorine atoms from CF2ClO and CFCl2O radicals has been observed at 238 and 298 K, and at 4-20 Torr total pressure by measurement of the rate of formation of the carbonyl halide product in real time. The fragment ion (CFO)+ was found to be specific for the detection of CF2O and CFClO and was monitored by time-resolved mass spectrometry in flash photolysis of mixtures of CF2ClBr or CFCl3 with O2 and NO. These two Cl atom elimination reactions were verified to be very facile, even at low temperatures. The rate constants were estimated by regression analysis of experimentally measured formation curves of CF2O and CFClO, and decay curves of CF2ClO2 and CFCl2O2 were determined in the same experiments. The estimated 298 K rate constants are (6.4 +/- 1.4) x 10(4) s-1 for CF2ClO and (1.2 +/- 0.4) x 10(5) s-1 for CFCl2O.

  DOI：

  10.1021/j100183a046