1-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-4-[4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorophenyl]-2,3,5,6-tetrachlorobenzene | 33399-69-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-4-[4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorophenyl]-2,3,5,6-tetrachlorobenzene
• CAS: 33399-69-8
• 化学式: C₃₈H₂Cl₂₈
• 分子量: 1451.12
• InChiKey: SPDMFAIQWFGOJT-UHFFFAOYSA-N

物化性质

• 沸点：
  968.3±65.0 °C(Predicted)
• 密度：
  1.870±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  28.01
• 重原子数：
  66.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 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：

  1-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-4-[4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorophenyl]-2,3,5,6-tetrachlorobenzene 生成 perchloro-α,α,α',α'-tetraphenylbi-p-tolyl-α,α'-ylene diradical
  参考文献：
  名称：

  Inert carbon free radicals. I. Perchlorodiphenylmethyl and perchlorotriphenylmethyl radical series

  摘要：

  DOI：

  10.1021/ja00738a021
• 作为产物：
  描述：

  4,4'-bis(diphenylmethyl)biphenyl 在 二氯化二硫 、 三氯化铝 、 磺酰氯 作用下， 生成 1-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-4-[4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorophenyl]-2,3,5,6-tetrachlorobenzene
  参考文献：
  名称：

  Inert carbon free radicals. I. Perchlorodiphenylmethyl and perchlorotriphenylmethyl radical series

  摘要：

  DOI：

  10.1021/ja00738a021

文献信息

• Spin-charge exchange in allodial radical ions, a novel intramolecular single electron transfer equilibrium
  作者：Manuel Ballester、Isabel Pascual、Juan Riera、Juan Castaner

  DOI：10.1021/jo00001a042

  日期：1991.1

  The intramolecular single-electron transfer in radical anions and radical cations, constituted by two identical triphenylmethyl moieties, has been studied. The preparation of the radical ions has been effected by mixing the corresponding stable diions (tetra-n-butylammonium or hexachloroantimonate salts) and chemically inert diradicals: by partial oxidation of the dianion salts with iodine (radical anions) and by partial oxidation of the diradicals with SbCl5 (radical cations). The ESR C-13 hyperfine coupling constants and linewidths and UV-vis absorptivity spectra afford compelling evidence for a rapid spin-charge exchange equilibrium:(C6Cl5)2C-C6Cl4-Sp-C6Cl4-C(C6Cl5)2 = (C6Cl5)2C-C6Cl4-Sp-C6Cl4-C(C6Cl5)2(Sp = none, CH2CH2, C=C. * = -, +). Relevant structural aspects, such as steric inhibition of resonance, electron paths, and counterion involvement, are discussed. The synthesis and isolation of related disalts from the corresponding diradicals are also described.
• BALLESTER, MANUEL;PASCUAL, ISABEL;RIERA, JUAN;CASTANER, JUAN, J. ORG. CHEM., 56,(1991) N, C. 217-225
  作者：BALLESTER, MANUEL、PASCUAL, ISABEL、RIERA, JUAN、CASTANER, JUAN

  DOI：——

  日期：——