氯(氢过氧)甲烷 | 138434-09-0

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氢过氧化物
• 中文名称: 氯(氢过氧)甲烷
• 英文名称: Chloromethyl Hydroperoxide
• 英文别名: Methyldioxy, chloro-；chloro(hydroperoxy)methane
• CAS: 138434-09-0
• 化学式: CH₃ClO₂
• 分子量: 82.4866
• InChiKey: DUNYOPWYTOSXOC-UHFFFAOYSA-N

物化性质

• 沸点：
  194.2±23.0 °C(Predicted)
• 密度：
  1.368±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 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：
  2

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 氯(氢过氧)甲烷 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 Chloromethyl Hydroxymethyl Peroxide
  参考文献：
  名称：

  Preparation of 1-chloroalkyl hydroperoxides by the addition of hydrogen chloride to carbonyl oxides

  摘要：

  DOI：

  10.1021/jo00031a055
• 作为产物：
  描述：

  氯乙烯 在 盐酸 、 臭氧 作用下， 以 甲酸甲酯 为溶剂， 反应 1.25h， 生成 氯(氢过氧)甲烷
  参考文献：
  名称：

  Preparation of 1-chloroalkyl hydroperoxides by the addition of hydrogen chloride to carbonyl oxides

  摘要：

  DOI：

  10.1021/jo00031a055

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
• FTIR Product Study of the Cl-Initiated Oxidation of CH3Cl: Evidence for HCl Elimination from the Chloromethoxy Radical
  作者：E. W. Kaiser、T. J. Wallington

  DOI：10.1021/j100073a018

  日期：1994.6

  The Cl-atom-initiated oxidation of CH3Cl has been investigated at 296 K by UV irradiation of mixtures of CH3Cl, Cl-2, and O-2 in Na The observed products, measured using Fourier transform infrared (FTIR) spectroscopy, are HC(O)Cl, CO, HCl, and CH2ClOOH. The ratio HC(O)Cl/CO (R) is directly related to the O-2 pressure (1-147 Torr). The HCl yield is inversely related to the O-2 pressure. At 1 Torr O-2, the CO yield is >60%, while the HCl yield is 155%. We interpret these data as evidence for a competition between the decomposition and O-2 reactions of the CH2ClO radical: CH2ClO --> HCO + HCl (ks); CH2ClO + O-2 --> HC(O)Cl + HO2(k(6)) The first reaction involves a three-center molecular elimination of HCl, observed previously for 1-chloroethoxy radicals. The ratio R is inversely related to the total pressure (12-700 Torr), indicating that the first reaction is in the falloff regime. The ratio k(6)/k(8) was determined to be 5.0 x 10(-18) cm(3)/molecule at 700 Torr total pressure. We have also measured the rate constant ratio for reaction of HCO with Cl-2 (k(11)) and O-2 (kg) to be k(11)/k(9) = 1.15 (+/-0.12). This ratio agrees with that derived from literature values of these rate constants, verifying that the HCO radical is present during the oxidation process.
• Temperature dependence of the rate constants for oxidation of organic compounds by peroxyl radicals in aqueous alcohol solutions
  作者：Z. B. Alfassi、R. E. Huie、M. Kumar、P. Neta

  DOI：10.1021/j100181a045

  日期：1992.1

  Rate constants for reactions of chlorinated methylperoxyl radicals with chlorpromazinc (2-chloro-10-[3-(dimethylamino)-propyl]phenothiazine), trolox (6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxy?? lic acid), and ascorbate in aqueous alcohol solutions have been measured by pulse radiolysis as a function of temperature, generally between 5 and 75-degrees-C. The rate constants varied between 10(6) and 10(9) M-1 s-1, the calculated Arrhenius activation energies ranged from 1 to 30 kJ mol-1, and the preexponential factors also varied considerably, with log A ranging from 7 to 14. In general, room temperature rate constants increase with an increase in the number of chlorine atoms on the radical (increasing its electron affinity and thus the driving force for the reaction) and with an increase in the solvent polarity. The Arrhenius preexponential factor and the activation energy both increased as the proportion of water in the solvent mixture increased; i.e., the increase in rate constant with solvent polarity is a result of two compensating effects. Electron transfer from the organic reductants to the chlorinated methylperoxyl radicals is suggested to take place via an inner-sphere mechanism involving a transient adduct of the peroxyl radical to the reductant.
• Reactivities of chlorine atoms and peroxyl radicals formed in the radiolysis of dichloromethane
  作者：Z. B. Alfassi、S. Mosseri、P. Neta

  DOI：10.1021/j100341a040

  日期：1989.2
• Preparation of 1-chloroalkyl hydroperoxides by the addition of hydrogen chloride to carbonyl oxides
  作者：Walter V. Turner、Siegmar Gaeb

  DOI：10.1021/jo00031a055

  日期：1992.2