fluoromethyl peroxate | 137848-37-4

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氢过氧化物
• 英文名称: fluoromethyl peroxate
• 英文别名: Methyldioxy, fluoro-；fluoro(hydroperoxy)methane
• CAS: 137848-37-4
• 化学式: CH₃FO₂
• 分子量: 66.032
• InChiKey: KVPQKZULEXOIOK-UHFFFAOYSA-N

物化性质

• 沸点：
  168.2±15.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氟甲烷 在 air 、 氯 作用下， 21.9 ℃ 、93.33 kPa 条件下， 以87%的产率得到formyl fluoride
  参考文献：
  名称：

  Spectroscopic, kinetic and mechanistic study of fluoromethylperoxo radicals in the gas phase at 298 K

  摘要：

  The ultraviolet absorption spectrum of CH2FO2 radicals and the kinetics and mechanism of their self-reaction have been studied in the gas phase at 298 K. Two techniques have been used: pulse radiolysis UV absorption to measure the spectrum and kinetics and long path length Fourier transform infrared spectroscopy (FTIR) to identify and quantify the reaction products. Absorption cross sections were quantified over the wavelength range 220-300 nm. The measured cross section near the absorption maximum is sigma(CH2FO2)(240 nm) = (4.11 +/- 0.67) x 10(18) cm2 molecule.-1 Errors are statistical (2-sigma) plus our estimate of potential systematic uncertainty (10%). This absorption cross section was then used to derive the observed self-reaction rate constant for reaction 1, defined as -d[CH2FO2]/dt = 2k(abs)[CH2FO2]2, CH2FO2 + CH2FO2 --> products (1), k(iobs) = (4.01 +/- 0.52) x 10(-12) cm3 molecule-1 s-1 (errors are 2-sigma). The only carbon-containing products observed by FTIR spectroscopy were HC(O)F and CH2FOOH, indicating that the majority (> 77%) of the self-reaction proceeds via the channel CH2FO2 + CH2FO2 --> CH2FO + CH2FO + O2 (1a). As part of this work, a rate constant of (3.24 +/- 0.51) x 10(-13) cm3 molecule-1 s-1 was measured for the reaction of Cl atoms with CH3F and a lower limit of 1.2 x 10(-11) cm3 molecule-1 s-1 was determined for the reaction of F atoms with CH3F: Cl (F) + CH3F --> CH2F + HCl (HF).

  DOI：

  10.1021/j100182a041

文献信息

• Rate constants for reduction of substituted methylperoxyl radicals by ascorbate ions and N,N,N',N'-tetramethyl-p-phenylenediamine
  作者：P. Neta、R. E. Huie、S. Mosseri、L. V. Shastri、J. P. Mittal、P. Maruthamuthu、S. Steenken

  DOI：10.1021/j100347a045

  日期：1989.5
• Spectroscopic, kinetic and mechanistic study of fluoromethylperoxo radicals in the gas phase at 298 K
  作者：Timothy J. Wallington、James C. Ball、Ole J. Nielsen、Elzbieta Bartkiewicz

  DOI：10.1021/j100182a041

  日期：1992.2

  The ultraviolet absorption spectrum of CH2FO2 radicals and the kinetics and mechanism of their self-reaction have been studied in the gas phase at 298 K. Two techniques have been used: pulse radiolysis UV absorption to measure the spectrum and kinetics and long path length Fourier transform infrared spectroscopy (FTIR) to identify and quantify the reaction products. Absorption cross sections were quantified over the wavelength range 220-300 nm. The measured cross section near the absorption maximum is sigma(CH2FO2)(240 nm) = (4.11 +/- 0.67) x 10(18) cm2 molecule.-1 Errors are statistical (2-sigma) plus our estimate of potential systematic uncertainty (10%). This absorption cross section was then used to derive the observed self-reaction rate constant for reaction 1, defined as -d[CH2FO2]/dt = 2k(abs)[CH2FO2]2, CH2FO2 + CH2FO2 --> products (1), k(iobs) = (4.01 +/- 0.52) x 10(-12) cm3 molecule-1 s-1 (errors are 2-sigma). The only carbon-containing products observed by FTIR spectroscopy were HC(O)F and CH2FOOH, indicating that the majority (> 77%) of the self-reaction proceeds via the channel CH2FO2 + CH2FO2 --> CH2FO + CH2FO + O2 (1a). As part of this work, a rate constant of (3.24 +/- 0.51) x 10(-13) cm3 molecule-1 s-1 was measured for the reaction of Cl atoms with CH3F and a lower limit of 1.2 x 10(-11) cm3 molecule-1 s-1 was determined for the reaction of F atoms with CH3F: Cl (F) + CH3F --> CH2F + HCl (HF).