dibromochloromethyl | 34902-22-2

• 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: dibromochloromethyl
• 英文别名: dibromo-chloro-methyl；Chlordibrommethylradikal；Dibromchlormethyl；Methyl, dibromochloro-
• CAS: 34902-22-2
• 化学式: CBr₂Cl
• 分子量: 207.272
• InChiKey: LPDLBPXYMCOBCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  dibromochloromethyl 、 lithium 以 neat (no solvent) 为溶剂， 生成 dibromochloromethyl lithium
  参考文献：
  名称：

  固体氩气中三卤甲基锂和钠化合物的红外光谱证据

  摘要：

  DOI：

  10.1021/j100851a061
• 作为产物：
  描述：

  三溴氯甲烷 在 Li 作用下， 以 solid matrix 为溶剂， 生成 dibromochloromethyl
  参考文献：
  名称：

  Reactions of Alkali‐Metal Atoms with Carbon Tetrabromide. Infrared Spectra and Bonding in the Tribromomethyl Radical and Dibromocarbene in Solid Argon

  摘要：

  Simultaneous condensation at 15°K of beams of lithium atoms and carbon tetrabromide diluted in argon produces infrared absorptions which are identified as lithium bromide and the tribromomethyl radical. Comparisons within the series of radicals CCl3, CCl2Br, CClBr2, and CBr3 verify the molecular identity. Assignments to the carbon–bromine stretching vibrations are ν1 = 582 cm−1 and v3 = 773 cm−1, whereas the bending modes v2 and v4 were not observed. The stretching force constants Fr = 3.55 mdyn/Å and Frr = 0.70 mdyn/Å are compared with those of other bromocarbons and BBr3. The high carbon–bromine stretching-force constant can be rationalized by the fact that the tribromomethyl radical is resonance stabilized. Secondary reaction of lithium atoms with the tribromomethyl radical yields a sufficient concentration of dibromocarbene for infrared spectral study. Variation of the perbromochloromethane precursors and loss of CBr2 absorptions with attendant growth of the most intense C2Br4 absorption on sample warming furnish convincing evidence that dibromocarbene is isolated in the argon matrix. Assignments to the carbon–bromine stretching vibrations are v1 = 595.0 cm−1 and v3 = 640.5 cm−1, and the bending mode was not detected. The stretching-force constants Fr = 2.38 mdyn/Å and Frr = 0.18 mydn/Å indicate that C–Br single bonds are present in dibromocarbene, making it unlikely that the electron deficiency of the carbon atom is relieved by pi bonding with bromine.

  DOI：

  10.1063/1.1670158

文献信息

• Maltsev, A. K.; Nefedov, O. M.; Hauge, R. H., Journal of Physical Chemistry, 1971, vol. 75, p. 3984 - 3988
  作者：Maltsev, A. K.、Nefedov, O. M.、Hauge, R. H.、Margrave, J. L.、Seyferth, D.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 3.9, page 76 - 76
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 4.3.5.5, page 381 - 382
  作者：

  DOI：——

  日期：——
• On the infrared spectra of dichlorocarbene and the trichloromethyl radical in solid argon
  作者：Lester Andrews

  DOI：10.1016/s0040-4039(01)98970-1

  日期：——
• Infrared spectral evidence for trihalomethyllithium and -sodium compounds in solid argon
  作者：Lester Andrews、T. Granville Carver

  DOI：10.1021/j100851a061

  日期：1968.5