3-chloropropene-d5 | 40136-97-8

• 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: 3-chloropropene-d5
• 英文别名: chloroallyl-d5；3-chloro-1,1,2,3,3-pentadeuterio-propene；3-chloro-pentadeuterio-propene；3-Chlor-pentadeuterio-propen；Perdeuteroallylchlorid；Allylchlorid-d(5)；3-Chloro-1,1,2,3,3-pentadeuterioprop-1-ene；3-chloro-1,1,2,3,3-pentadeuterioprop-1-ene
• CAS: 40136-97-8
• 化学式: C₃H₅Cl
• 分子量: 81.486
• InChiKey: OSDWBNJEKMUWAV-RHPBTXKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  3-chloropropene-d5 在 dihydrogen hexachloroplatinate 三氯硅烷-d 作用下， 生成 γ-chloropropyltrichlorosilane-d6
  参考文献：
  名称：

  Direct spectroscopic study of silaolefins. Vibrational frequencies of R2SiCD2 (R = CH3, CD3) in an argon matrix

  摘要：

  DOI：

  10.1016/0022-328x(84)85163-3
• 作为产物：
  描述：

  1,2-二氯丙烷-D6 生成 3-chloropropene-d5
  参考文献：
  名称：

  Direct spectroscopic study of silaolefins. Vibrational frequencies of R2SiCD2 (R = CH3, CD3) in an argon matrix

  摘要：

  DOI：

  10.1016/0022-328x(84)85163-3

文献信息

• Flid, V. R.; Vasyukov, V. S.; Belov, A. P., Theoretical and Experimental Chemistry, 1990, vol. 26, p. 348 - 352
  作者：Flid, V. R.、Vasyukov, V. S.、Belov, A. P.

  DOI：——

  日期：——
• Vibrational Spectra and Structure of Cyclopropane and Cyclopropane‐<i>d</i>₆
  作者：A. W. Baker、R. C. Lord

  DOI：10.1063/1.1742402

  日期：1955.9

  Cyclopropane-d6 has been synthesized from deuterium oxide and magnesium tricarbide in steps giving successively methyl acetylene-d4, propylene-d6, allyl chloride-d5, 3-bromo-1-chloropropane-d6, and cyclopropane-d6. Infrared spectra of cyclopropane and cyclopropane-d6 have been obtained in the spectral region 350 to 3700 cm—1 for the vapor and 650 to 3700 cm—1 for the liquid. Raman spectra, including semi-quantitative depolarization factors, have been determined for the liquid state. The spectroscopic results satisfy the Teller-Redlich product rule for a molecule of D3h symmetry. All active fundamentals in cyclopropane-d6 but one have been directly observed. The inactive fundamentals in both molecules have been located provisionally from overtone assignments. An attempt to determine the molecular geometry from rotational contours of the infrared bands was not successful, but high-resolution work on cyclopropane-d6 shows that the C–C distance is 1.524±0.014 A.
• Direct spectroscopic study of silaolefins. Vibrational frequencies of R2SiCD2 (R = CH3, CD3) in an argon matrix
  作者：A.K. Maltsev、V.N. Khabashesku、O.M. Nefedov

  DOI：10.1016/0022-328x(84)85163-3

  日期：1984.8