(2-Chloroethyl)dioxidanyl | 118449-53-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: (2-Chloroethyl)dioxidanyl
• CAS: 118449-53-9
• 化学式: C₂H₄ClO₂
• 分子量: 95.5056
• InChiKey: OGPSMBWRGBKPHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  5
• 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：
  10.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2-Chloroethyl)dioxidanyl 生成 2-chloro-ethyloxyl
  参考文献：
  名称：

  Evidence for the three-center elimination of hydrogen chloride from 1-chloroethoxy

  摘要：

  Time-resolved IR spectral photography and transient diode laser absorption measurements reveal a yield of HCl from the photolysis of Cl2 in the presence of C2H5Cl and O2 which is 78% larger than expected from Cl + C2H5Cl. The HCl formation occurs in two steps: a rapid rise to [HCl] = [Cl]0, followed by a secondary rise to [HCl] = 1.78[Cl]0 with a rate constant of k3 = (5.2 +/- 1.3) X 10(-12) cm3 S-1. In the presence of NO, the rate of secondary HCl formation is greatly enhanced, but its yield (84%) is comparable to that in the absence of NO. The secondary HCl is explained as an elimination product from the CH3CHClO, which can be generated by the reaction of CH3CHClO2 with itself or with NO. The fact that the secondary HCl yield increases by 12% when using CD3CH2Cl shows that the secondary HCl is formed mainly by three-center elimination from the 1-chloroethoxy radical. We also report UV absorption cross sections for CH3CHClO2, which has a broad maximum of sigma(max) = 0.029 angstrom2 from 215 to 248 nm, and CH2ClCH2O2, with sigma(max) = 0.045 angstrom2 at 240 nm. The self-reaction rate constants are (5.2+/-1.3) X 10(-12) cm3 s-l and (6.04-0.8) X 10(-12) cm3 s-1, respectively. Finally, the rate constant for the reaction Cl + C2H5Cl = C2H4Cl + HCl (1) is determined to be k1 = (7.3 +/- 0.9) X 10(-12) cm3 s-1.

  DOI：

  10.1021/j100140a027

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
• Evidence for the three-center elimination of hydrogen chloride from 1-chloroethoxy
  作者：M. Matti Maricq、Jichun Shi、Joseph J. Szente、L. Rimai、E. W. Kaiser

  DOI：10.1021/j100140a027

  日期：1993.9

  Time-resolved IR spectral photography and transient diode laser absorption measurements reveal a yield of HCl from the photolysis of Cl2 in the presence of C2H5Cl and O2 which is 78% larger than expected from Cl + C2H5Cl. The HCl formation occurs in two steps: a rapid rise to [HCl] = [Cl]0, followed by a secondary rise to [HCl] = 1.78[Cl]0 with a rate constant of k3 = (5.2 +/- 1.3) X 10(-12) cm3 S-1. In the presence of NO, the rate of secondary HCl formation is greatly enhanced, but its yield (84%) is comparable to that in the absence of NO. The secondary HCl is explained as an elimination product from the CH3CHClO, which can be generated by the reaction of CH3CHClO2 with itself or with NO. The fact that the secondary HCl yield increases by 12% when using CD3CH2Cl shows that the secondary HCl is formed mainly by three-center elimination from the 1-chloroethoxy radical. We also report UV absorption cross sections for CH3CHClO2, which has a broad maximum of sigma(max) = 0.029 angstrom2 from 215 to 248 nm, and CH2ClCH2O2, with sigma(max) = 0.045 angstrom2 at 240 nm. The self-reaction rate constants are (5.2+/-1.3) X 10(-12) cm3 s-l and (6.04-0.8) X 10(-12) cm3 s-1, respectively. Finally, the rate constant for the reaction Cl + C2H5Cl = C2H4Cl + HCl (1) is determined to be k1 = (7.3 +/- 0.9) X 10(-12) cm3 s-1.