6,8-Dibrom-2-pyrencarbonsaeure | 38037-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 6,8-Dibrom-2-pyrencarbonsaeure
• 英文别名: 6,8-Dibromopyrene-2-carboxylic acid
• CAS: 38037-51-3
• 化学式: C₁₇H₈Br₂O₂
• 分子量: 404.057
• InChiKey: PHNKDMZFVQAQPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,8-Dibrom-2-pyrencarbonsaeure 在 盐酸 、 溶剂黄146 作用下， 生成 1,3-二溴芘
  参考文献：
  名称：

  Gerasimenko,Yu.E.; Poteleshchenko,V.P., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, p. 1084 - 1087

  摘要：

  DOI：
• 作为产物：
  描述：

  芘-2-羧酸 在 溴 作用下， 以 硝基苯 为溶剂， 生成 6,8-Dibrom-2-pyrencarbonsaeure
  参考文献：
  名称：

  Gerasimenko,Yu.E.; Poteleshchenko,V.P., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, p. 1084 - 1087

  摘要：

  DOI：

文献信息

• Gerasimenko,Yu.E.; Poteleshchenko,V.P., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, p. 1084 - 1087
  作者：Gerasimenko,Yu.E.、Poteleshchenko,V.P.

  DOI：——

  日期：——
• Sorption of Polycyclic Aromatic Compounds to Humic Acid As Studied by High-Performance Liquid Chromatography
  作者：Torben Nielsen、Katrin Siigur、Christian Helweg、Ole Jørgensen、Poul Erik Hansen、Uuve Kirso

  DOI：10.1021/es960620t

  日期：1997.4.1

  Aldrich humic acid was chemically immobilized to the silanol surface of a column material to be used for highperformance liquid chromatography (HPLC). The retention factors to the humic acid column material of 45 polycyclic aromatics compounds (PAC) were determined by HPLC. The PAC include PAH, N-, S-, O-PAC and substituted PAC (9-substituted anthracenes, bromopyrenes, and quinoline derivatives). The sorption coefficient of quinoline to humic acid was directly determined at different pH. The good correlation achieved between the HPLC retention factors and literature K-oc values, including the presented one of quinoline, was applied to determine K-oc of 39 other PAC. The determined K-oc values were parametrized with regard to size, ring heteroatoms, and steric and substituent effects and were compared with literature values of water solubility and recently determined octanol-water partition coefficients. It is shown that the sorption of PAC to humic a cid is not only affected by hydrophobic interactions but also by hydrogen and especially ionic bonds. The investigation shows that the application of humic acid stationary HPLC phases is a valuable supplement to other techniques for determination of K-oc.