| 83498-79-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• CAS: 83498-79-7
• 化学式: CClF₂O
• 分子量: 101.46
• InChiKey: GFNKLLGULMWYJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 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：
  2

反应信息

• 作为反应物：
  描述：

  -35.1~24.9 ℃ 、2.67 kPa 条件下， 生成 氟光气 、 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：

  氯(二氟)甲烷 在 二氧化氮 作用下， 生成
  参考文献：
  名称：

  红外多光子诱导分解产生的自由基动力学。2. 乙酰基和二氯氟甲基自由基的形成及其与二氧化氮的反应

  摘要：

  已经开发出一种在适合于定量研究其气相反应的条件下产生多原子自由基的通用、间接方法。Cl 原子在流动反应器中通过 CF/sub 2/Cl/sub 2/ 或 C/sub 6/F/sub 5/Cl 的红外多光子诱导分解 (IRMPD) 均匀生成，然后与有机前体产生所需的自由基。然后可以使用光电离质谱法以时间分辨方式监测该自由基的反应。在这项研究中，我们生产了乙酰基辐射并研究了它与 NO/sub 2/ 在光电离质谱法下的反应。在这项研究中，我们产生了乙酰基，并研究了它在准一级条件下与 NO/sub 2/ 的反应，不仅可以确定速率常数，还可以验证这种氧化反应的机理。反应物和产物离子信号分布的建模表明产生的产物和速率常数 (k/sub 4/) 是 CH/sub 3/CO + NO/sub 2/ ..-->.. CH/sub 3/CO/ sub 2/ + NO，k/sub 4/= 2.5 (+- 0.6)

  DOI：

  10.1021/ja00382a001

文献信息

• Kinetics of free radicals produced by infrared multiphoton-induced decomposition. 2. Formation of acetyl and dichlorofluoromethyl radicals and their reactions with nitrogen dioxide
  作者：Irene R. Slagle、David Gutman

  DOI：10.1021/ja00382a001

  日期：1982.9

  monitored in a time-resolved manner using photoionization mass spectrometry. In this study we have produced the acetyl radial and studied its reaction with NO/sub 2/ under photoionization mass spectrometry. In this study we have produced the acetyl radical and studied its reaction with NO/sub 2/ under pseudo-first-order conditions in order to determine not only the rate constant but also to verify the mechanism

  已经开发出一种在适合于定量研究其气相反应的条件下产生多原子自由基的通用、间接方法。Cl 原子在流动反应器中通过 CF/sub 2/Cl/sub 2/ 或 C/sub 6/F/sub 5/Cl 的红外多光子诱导分解 (IRMPD) 均匀生成，然后与有机前体产生所需的自由基。然后可以使用光电离质谱法以时间分辨方式监测该自由基的反应。在这项研究中，我们生产了乙酰基辐射并研究了它与 NO/sub 2/ 在光电离质谱法下的反应。在这项研究中，我们产生了乙酰基，并研究了它在准一级条件下与 NO/sub 2/ 的反应，不仅可以确定速率常数，还可以验证这种氧化反应的机理。反应物和产物离子信号分布的建模表明产生的产物和速率常数 (k/sub 4/) 是 CH/sub 3/CO + NO/sub 2/ ..-->.. CH/sub 3/CO/ sub 2/ + NO，k/sub 4/= 2.5 (+- 0.6)
• 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.