1,1,1,3-四氯-3-碘丙烷 | 94722-48-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 中文名称: 1,1,1,3-四氯-3-碘丙烷
• 英文名称: 1,1,1,3-Tetrachloro-3-iodopropane
• 英文别名: 1,1,1,3-tetrachloro-3-iodopropane
• CAS: 94722-48-2
• 化学式: C₃H₃Cl₄I
• 分子量: 307.773
• InChiKey: BSGJUTINPFPUIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  257.7±8.0 °C(Predicted)
• 密度：
  2.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  8
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,1,1,3-四氯-3-碘丙烷 在 十羰基二铼 作用下， 以 苯 为溶剂， 生成 1,3,3,3-tetrachloro-propyl
  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
• 作为产物：
  描述：

  氯乙烯 、 trichloroiodomethane 在 过氧化苯甲酰 作用下， 以45.4%的产率得到1,1,1,3,5-Pentachloro-5-iodopentane
  参考文献：
  名称：

  EPR determination of rate constant of splitting chlorine from CCl4 by telomeric radicals CCl3(CH2CHCl)n� (n=1,2) and their addition to vinyl chloride and nitrosodurene

  摘要：

  DOI：

  10.1007/bf00948616

文献信息

• EPR determination of rate constant of splitting chlorine from CCl4 by telomeric radicals CCl3(CH2CHCl)n� (n=1,2) and their addition to vinyl chloride and nitrosodurene
  作者：R. G. Gasanov、L. V. Ivanova、N. A. Grigor'ev

  DOI：10.1007/bf00948616

  日期：1984.9
• 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.