Methyldioxy, dichlorofluoro- | 71598-48-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: Methyldioxy, dichlorofluoro-
• CAS: 71598-48-6
• 化学式: CCl₂FO₂
• 分子量: 133.914
• InChiKey: MRTNBPNZMJSBBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  6
• 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：
  10.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  [二氯(氟)甲氧基]硝酸盐 以 various solvent(s) 为溶剂， 生成 Methyldioxy, dichlorofluoro- 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Zabel, F., Zeitschrift fur Physikalische Chemie, 1995, vol. 188, # 1, p. 119 - 142

  摘要：

  DOI：

文献信息

• Rate constants for the reaction of halogenated alkylperoxyl radicals with iodide: influence of substituents, solvent polarity, and proton concentration
  作者：Igor ?tefani?、Klaus-Dieter Asmus、Marija Bonifa?i?

  DOI：10.1002/poc.885

  日期：2005.5

  polarity of solvent mixtures and electronegativity of the substituents at the α-C atom of the peroxyl radicals. They strongly depend on all these variables, with the actual numbers covering a range from 3 × 105 to 7.0 × 108 M−1 s−1. A good linear relationship is obtained between logk and the dielectric constant of the solvent mixture. Within a particular solvent mixture the rate constants depend strongly

  该脉冲辐解研究涉及碘离子（I的反应- ）与在2-丙醇-水混合物卤代烷基过氧自由基的系列。研究中的是CF 3 OO ·，CFCl 2 OO ·，CCl 3 OO ·，C 2 Cl 5 OO ·，CHCl 2 OO ·和CF 3 CHClOO ·。所有这些过氧自由基的氧化一共有三个我的-离子以快速且实际上同时的反应顺序进行。总的两电子步骤涉及一个过渡的过氧碘化物加合物基团，导致两个碘化物离子氧化，生成分子I 2和相应的卤代烷氧基基团R（Hal）O ·。后者负责氧化第三碘化物以产生碘原子I ·。整体二阶速率常数为这些多电子氧化过程通过以下I的形成动力学测定3 - / I 2 · -，I的分光光度法可访问的形式2和余·在我-包含解决方案。根据pH，溶剂混合物的极性和过氧自由基的α-C原子上取代基的电负性确定这些速率常数。它们在很大程度上取决于所有这些变量，实际数字范围从3×10 5到7.0×10 8
• Halogenated alkylperoxyl radicals as oxidants: effects of solvents and of substituents on rates of electron transfer
  作者：Zeev B. Alfassi、S. Mosseri、P. Neta

  DOI：10.1021/j100296a056

  日期：1987.6
• Zabel, F., Zeitschrift fur Physikalische Chemie, 1995, vol. 188, # 1, p. 119 - 142
  作者：Zabel, F.

  DOI：——

  日期：——
• 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
  作者：Fuxiang Wu、Robert W. Carr

  DOI：10.1021/j100183a046

  日期：1992.2

  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.