bromomethylperoxy radical | 119437-62-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: bromomethylperoxy radical
• 英文别名: bromomethyldioxy；Methyldioxy, bromo-
• CAS: 119437-62-6
• 化学式: CH₂BrO₂
• 分子量: 125.93
• InChiKey: OBEKRRSDDLROBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  4
• 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：
  10.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  bromomethylperoxy radical 以 gas 为溶剂， 生成 甲酰基溴化物
  参考文献：
  名称：

  CH 2 Br和CH 2 BrO 2的紫外吸收光谱以及298 K下CH 2 BrO 2与自身以及与HO 2的反应动力学

  摘要：

  溴甲基（CH 2 Br）和溴甲基过氧基（CH 2 BrO 2）自由基的紫外吸收光谱已使用快速光解技术测定。CH 2 Br表现出典型的卤甲基自由基吸收带，在230 nm附近达到峰值，CH 2 BrO 2表现出典型的广泛的过氧自由基吸收，最大值在240 nm处。自反应的速率系数在298 K下确定（CH 2 BrO 2 BrO 2 + CH 2 BrO 2 →2 CH 2 BrO + O 2（3），k 3 =（1.05±0.4）×10-12 cm 3分子-1 s -1）并与HO 2（CH 2 BRO 2 + HO 2 →产物（5））反应，k 5 =（6.7±3.8）×10 -12 cm 3分子-1 s -1）。关于氟和氯取代，与甲基过氧自由基相比，溴取代提高了自反应的速率常数，而与HO 2反应的速率常数却没有显着改变。

  DOI：

  10.1016/0009-2614(95)00253-z
• 作为产物：
  描述：

  溴甲烷 在 氧气 、 六氟化硫 作用下， 生成 bromomethylperoxy radical
  参考文献：
  名称：

  Ultraviolet absorption spectra and kinetics of the self-reaction of bromomethyl and peroxybromomethyl radicals in the gas phase at 298 K

  摘要：

  The ultraviolet absorption spectra of CH2Br and CH2BrO2 radicals and the kinetics of their self-reactions have been studied in the gas phase at 298 K by using the pulse radiolysis technique. Absorption cross sections were quantified over the wavelength range 220-350 nm. Measured cross sections near the absorption maxima were sigma(CH2Br)(280 nm) = (6.26 +/- 1.15) x 10(-18) cm2 molecule-1 and sigma(CH2BrO2)(250 nm) = (7.20 +/- 0.83) x 10(-18) cm2 molecule-1. Errors represent statistical errors (2-sigma) together with our estimate of potential systematic errors (10%). The absorption cross-sectional data were then used to derive the observed self-reaction rate constants for reactions 1 and 2, defined as -d[R]/dt = 2k(obs)[R]2 (R = CH2Br or CH2BrO2) of CH2Br + CH2Br --> products (1)CH2BrO2 + CH2BrO2 --> products (2) k1 = (2.93 +/- 0.60) x 10(-11) cm3 molecule-1 s-1 and k2obs = (3.26 +/- 0.31) x 10(-11) cm3 molecule-1 s-1 (quoted errors represent 2-sigma). These results are discussed with respect to previous studies of the absorption spectra and kinetics of peroxy radicals.

  DOI：

  10.1021/j100175a054

文献信息

• Bakac, Andreja; Espenson, James H., Inorganic Chemistry, 1989, vol. 28, # 24, p. 4319 - 4322
  作者：Bakac, Andreja、Espenson, James H.

  DOI：——

  日期：——
• 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
• Bromine atom complexes with bromoalkanes: their formation in the pulse radiolysis of di-, tri-, and tetrabromomethane and their reactivity with organic reductants
  作者：Lian C. T. Shoute、P. Neta

  DOI：10.1021/j100369a046

  日期：1990.3
• Ultraviolet absorption spectra and kinetics of the self-reaction of bromomethyl and peroxybromomethyl radicals in the gas phase at 298 K
  作者：Ole J. Nielsen、Jette Munk、Garrett Locke、Timothy J. Wallington

  DOI：10.1021/j100175a054

  日期：1991.10

  The ultraviolet absorption spectra of CH2Br and CH2BrO2 radicals and the kinetics of their self-reactions have been studied in the gas phase at 298 K by using the pulse radiolysis technique. Absorption cross sections were quantified over the wavelength range 220-350 nm. Measured cross sections near the absorption maxima were sigma(CH2Br)(280 nm) = (6.26 +/- 1.15) x 10(-18) cm2 molecule-1 and sigma(CH2BrO2)(250 nm) = (7.20 +/- 0.83) x 10(-18) cm2 molecule-1. Errors represent statistical errors (2-sigma) together with our estimate of potential systematic errors (10%). The absorption cross-sectional data were then used to derive the observed self-reaction rate constants for reactions 1 and 2, defined as -d[R]/dt = 2k(obs)[R]2 (R = CH2Br or CH2BrO2) of CH2Br + CH2Br --> products (1)CH2BrO2 + CH2BrO2 --> products (2) k1 = (2.93 +/- 0.60) x 10(-11) cm3 molecule-1 s-1 and k2obs = (3.26 +/- 0.31) x 10(-11) cm3 molecule-1 s-1 (quoted errors represent 2-sigma). These results are discussed with respect to previous studies of the absorption spectra and kinetics of peroxy radicals.
• The UV absorption spectra of CH2Br and CH2BrO2 and the reaction kinetics of CH2BrO2 with itself and with HO2 at 298 K
  作者：Eric Villenave、Robert Lesclaux

  DOI：10.1016/0009-2614(95)00253-z

  日期：1995.4

  with a maximum at 240 nm. Rate coefficients were determined at 298 K for the self-reaction (CH2BrO2BrO2 + CH2BrO2 → 2 CH2BrO + O2 (3), k3 = (1.05 ± 0.4) × 10−12 cm3 molecule−1 s−1) and for the reaction with HO2 (CH2BRO2 + HO2 → products (5), k5 = (6.7 ± 3.8) × 10−12 cm3 molecule−1 s−1). As for fluorine and chlorine substitution, bromine substitution enhances the rate constant of the self-reaction, compared

  溴甲基（CH 2 Br）和溴甲基过氧基（CH 2 BrO 2）自由基的紫外吸收光谱已使用快速光解技术测定。CH 2 Br表现出典型的卤甲基自由基吸收带，在230 nm附近达到峰值，CH 2 BrO 2表现出典型的广泛的过氧自由基吸收，最大值在240 nm处。自反应的速率系数在298 K下确定（CH 2 BrO 2 BrO 2 + CH 2 BrO 2 →2 CH 2 BrO + O 2（3），k 3 =（1.05±0.4）×10-12 cm 3分子-1 s -1）并与HO 2（CH 2 BRO 2 + HO 2 →产物（5））反应，k 5 =（6.7±3.8）×10 -12 cm 3分子-1 s -1）。关于氟和氯取代，与甲基过氧自由基相比，溴取代提高了自反应的速率常数，而与HO 2反应的速率常数却没有显着改变。