| 52720-13-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• CAS: 52720-13-5
• 化学式: C₅H₈Cl₃
• 分子量: 174.478
• InChiKey: MKHFLLIEQGWZHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  8.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  在 四氯化碳 作用下， 生成 1,1,1,5-四氯戊烷
  参考文献：
  名称：

  ESR determination of the rate constant for the abstraction of chlorine from CCl4 by telomeric CCl3(CH2CH2)n . (n=1?3) radicals

  摘要：

  DOI：

  10.1007/bf00949939
• 作为产物：
  描述：

  1,1,1-trichloro-5-iodo-pentane 在 十羰基二铼 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Reactivity of radicals CCl3(CH2CHR)n (R=H, CH3, Cl; n=1, 2) in addition reactions with unsaturated compounds

  摘要：

  Using EPR spectroscopy, the rate constants for the addition of radicals CCl3(CH2.CH2)n. (R1 for n = 1 and R2 for n = 2), CCl3CH2C.HCH3 (R3), and CCl3CH2C.HCl (R4) to unsaturated compounds CH2 = CHX (X = C6H5, COOCH3, CN) and CH2 = C(CH3)Y (Y = C6H5, COOCH3) at 22-degrees-C have been determined. The radicals R1 and R2 exhibit ambiphilic, and R4 electrophilic character towards the selected unsaturated compounds. It has been shown that the presence of the CCl3 group in the gamma-position of the radical center has little effect on the reactivity of the radical. Replacement of a hydrogen on the alpha-carbon in radical R1 by a (CH)-H-3 group or chlorine atom leads to a considerable reduction in the rate of addition of the radicals to the unsaturated compounds examined.

  DOI：

  10.1007/bf00957978

文献信息

• EPR determination of the rate constants for hydrogen abstraction from HCCl3 by CCl3(CH2CHX)n radicals (X=H, Me, n=1, 2)
  作者：L. V. Il'inskaya、R. G. Gasanov

  DOI：10.1007/bf00961940

  日期：1988.6
• ESR determination of the rate constant for the abstraction of chlorine from CCl4 by telomeric CCl3(CH2CH2)n . (n=1?3) radicals
  作者：R. G. Gasanov、L. V. Ivanova、R. Kh. Freidlina

  DOI：10.1007/bf00949939

  日期：1982.5
• Reactivity of radicals CCl3(CH2CHR)n (R=H, CH3, Cl; n=1, 2) in addition reactions with unsaturated compounds
  作者：R. G. Gasanov、L. V. Il'inskaya、A. L. Tumanskaya

  DOI：10.1007/bf00957978

  日期：1991.3

  Using EPR spectroscopy, the rate constants for the addition of radicals CCl3(CH2.CH2)n. (R1 for n = 1 and R2 for n = 2), CCl3CH2C.HCH3 (R3), and CCl3CH2C.HCl (R4) to unsaturated compounds CH2 = CHX (X = C6H5, COOCH3, CN) and CH2 = C(CH3)Y (Y = C6H5, COOCH3) at 22-degrees-C have been determined. The radicals R1 and R2 exhibit ambiphilic, and R4 electrophilic character towards the selected unsaturated compounds. It has been shown that the presence of the CCl3 group in the gamma-position of the radical center has little effect on the reactivity of the radical. Replacement of a hydrogen on the alpha-carbon in radical R1 by a (CH)-H-3 group or chlorine atom leads to a considerable reduction in the rate of addition of the radicals to the unsaturated compounds examined.