溴乙烷-D3 | 23705-69-3

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 中文名称: 溴乙烷-D3
• 英文名称: 1,2,2-Tri<2H>-ethylbromid
• 英文别名: d3-Aetylbromid；d3-Ethylbromid；1-bromo-1,2,2-trideuterio-ethane；1-Brom-1,2,2-trideuterio-aethan；Bromoethane-1,2,2-D3；1-bromo-1,2,2-trideuterioethane
• CAS: 23705-69-3
• 化学式: C₂H₅Br
• 分子量: 111.942
• InChiKey: RDHPKYGYEGBMSE-FUDHJZNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  3
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  溴乙烷-D3 在 mercury(I) fluoride 作用下， 生成 1,2,2-Trideutero-ethylfluorid
  参考文献：
  名称：

  Bak et al., Acta Chemica Scandinavica (1947), 1958, vol. 12, p. 2021,2022

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-dideuterioethene 在 溴化氘 作用下， 生成 溴乙烷-D3
  参考文献：
  名称：

  Bak et al., Acta Chemica Scandinavica (1947), 1958, vol. 12, p. 2021,2022

  摘要：

  DOI：

文献信息

• Partial deuteriation studies, ethyl-group geometries and C–H bond properties in [MEt(cp)(CO)₂](M = Fe or Ru) and [MEt(cp)(CO)₃](M = Mo or W)(cp =η⁵-C₅H₅)
  作者：A. H. Jean Robertson、Geoffrey P. McQuillan、Donald C. McKean

  DOI：10.1039/dt9950003963

  日期：——

  Vibrational spectra have been obtained for the CH3CH2, CH3CD2, CD3CH2, CHD2CD2 and (for Fe and Mo) CHD2CHD isotopomers of [MEt(cp)(CO)(2)] (M = Fe or Ru) and [MEt(cp)(CO)(3)] (M = Mo or W) (cp = eta(5)-C5H5). The isolated CH stretching frequencies v(is)(CH), observed in the spectra of the CHD2CD2M isotopomers, show that the terminal methyl groups in all four compounds are significantly asymmetric. with one weak and two equivalent stronger C-H bonds [v(is)(CH) Mo, 2885. 2941;W, 2888, 2936; Fe, Ru. 2877, 2927 cm(-1)]. These differences in v(is)(CH) indicate differences of about 0.005 Angstrom in bond length, or 20 kJ mol(-1) in bond-dissociation energy, between the weaker and stronger C-H bonds in each methyl group. The effect of the metal atom substituents is to weaken all three beta-C-H bonds (relative to ethane), the gauche bonds by a relatively small amount but the trans bonds by as much as 25 kJ mol(-1). These bonds are amongst the weakest yet identified in non-agostic alkyltransition-metal compounds. The methylene (alpha-C-H) bonds are: also weakened relative to ethane, although to a lesser extent than the trans-beta-C-H bonds, and are weaker than the methyl C-H bonds in the corresponding methylmetal compounds. There is no evidence to suggest that the methylene C-H bonds are inequivalent, as appears to be the case in [TiEt(cp)Cl-2]. The ethyl groups occur in two conformations, C-s and C-1, but the methyl C-H bond properties are unaffected by the differences in orientation.
• Bak et al., Acta Chemica Scandinavica (1947), 1958, vol. 12, p. 2021,2022
  作者：Bak et al.

  DOI：——

  日期：——