Peroxide, chlorodifluoroacetyl nitro | 157043-72-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: Peroxide, chlorodifluoroacetyl nitro
• 英文别名: nitro 2-chloro-2,2-difluoroethaneperoxoate
• CAS: 157043-72-6
• 化学式: C₂ClF₂NO₅
• 分子量: 191.476
• InChiKey: QOIJNUMOQUWVKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Peroxide, chlorodifluoroacetyl nitro 生成
  参考文献：
  名称：

  Thermal Decomposition of CF3C(O)O2NO2, CClF2C(O)O2NO2, CCl2FC(O)O2NO2, and CCl3C(O)O2NO2

  摘要：

  AbstractHaloacetyl, peroxynitrates are intermediates in the atmospheric degradation of a number of haloethanes. In this work, thermal decomposition rate constants of CF3C(O)O2NO2, CClF2C(O)O2NO2, CCl2FC(O)O2NO2, and CCl3C(O)O2NO2 have been determined in a temperature controlled 420 l reaction chamber. Peroxynitrates (RO2NO2) were prepared in situ by photolysis of RH/Cl2/O2/NO2/N2 mixtures (R = CF3CO, CClF2CO, CCl2FCO, and CCl3CO). Thermal decomposition was initiated by addition of NO, and relative RO2NO2 concentrations were measured as a function of time by long‐path IR absorption using an FTIR spectrometer. First‐order decomposition rate constants were determined at atmospheric pressure (M = N2) as a function of temperature and, in the case of CF3C(O)O2NO2 and CCl3C(O)O2NO2, also as a function of total pressure. Extrapolation of the measured rate constants to the temperatures and pressures of the upper troposphere yields thermal lifetimes of several thousands of years for all of these peroxynitrates. Thus, the chloro(fluoro)acetyl peroxynitrates may play a role as temporary reservoirs of Cl, their lifetimes in the upper troposphere being limited by their (unknown) photolysis rates. Results on the thermal decomposition of CClF2CH2O2NO2 and CCl2FCH2O2NO2 are also reported, showing that the atmospheric lifetimes of these peroxynitrates are very short in the lower troposphere and increase to a maximum of several days close to the tropopause. The ratio of the rate constants for the reactions of CF3C(O)O2 radicals with NO2 and NO was determined to be 0.64 ± 0.13 (2σ) at 315 K and a total pressure of 1000 mbar (M = N2). © 1994 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550260805
• 作为产物：
  描述：

  氯二氟乙醛 在 氧气 、 氯 、 二氧化氮 作用下， 生成 Peroxide, chlorodifluoroacetyl nitro
  参考文献：
  名称：

  Thermal Decomposition of CF3C(O)O2NO2, CClF2C(O)O2NO2, CCl2FC(O)O2NO2, and CCl3C(O)O2NO2

  摘要：

  AbstractHaloacetyl, peroxynitrates are intermediates in the atmospheric degradation of a number of haloethanes. In this work, thermal decomposition rate constants of CF3C(O)O2NO2, CClF2C(O)O2NO2, CCl2FC(O)O2NO2, and CCl3C(O)O2NO2 have been determined in a temperature controlled 420 l reaction chamber. Peroxynitrates (RO2NO2) were prepared in situ by photolysis of RH/Cl2/O2/NO2/N2 mixtures (R = CF3CO, CClF2CO, CCl2FCO, and CCl3CO). Thermal decomposition was initiated by addition of NO, and relative RO2NO2 concentrations were measured as a function of time by long‐path IR absorption using an FTIR spectrometer. First‐order decomposition rate constants were determined at atmospheric pressure (M = N2) as a function of temperature and, in the case of CF3C(O)O2NO2 and CCl3C(O)O2NO2, also as a function of total pressure. Extrapolation of the measured rate constants to the temperatures and pressures of the upper troposphere yields thermal lifetimes of several thousands of years for all of these peroxynitrates. Thus, the chloro(fluoro)acetyl peroxynitrates may play a role as temporary reservoirs of Cl, their lifetimes in the upper troposphere being limited by their (unknown) photolysis rates. Results on the thermal decomposition of CClF2CH2O2NO2 and CCl2FCH2O2NO2 are also reported, showing that the atmospheric lifetimes of these peroxynitrates are very short in the lower troposphere and increase to a maximum of several days close to the tropopause. The ratio of the rate constants for the reactions of CF3C(O)O2 radicals with NO2 and NO was determined to be 0.64 ± 0.13 (2σ) at 315 K and a total pressure of 1000 mbar (M = N2). © 1994 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550260805