6-iodo-2,5-dimethyl-phenol | 1403775-57-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 6-iodo-2,5-dimethyl-phenol
• 英文别名: 2-Iodo-3,6-dimethylphenol
• CAS: 1403775-57-4
• 化学式: C₈H₉IO
• 分子量: 248.063
• InChiKey: NYDIRGITZNWTBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,5-二甲基苯酚 在 碘 作用下， 以 aq. buffer 为溶剂， 生成 6-iodo-2,5-dimethyl-phenol 、 4-碘-2,5-二甲基苯酚 、 4,6-二碘-2,5-二甲基-苯酚
  参考文献：
  名称：

  Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indices

  摘要：

  Iodination reaction followed by conversion of iodine-substituted methylphenols to the corresponding trifluoroacetates was suggested for improving the sensitivity of the gas-chromatographic determination of phenol and its methyl-substituted derivatives (al isomers of mono-and diethylphenols, 2,3,5-, 2,3,6-, and 3,4,5-trimethylphenols) in aqueous media. Acylation products of iodo methylphenols (104 compounds) were identified by linear-logarithmic retention indices on a standard nonpolar polydimethylsiloxane stationary phase, and the pattern of their variation with the number and nature of substituents were characterized. A procedure for identification of methyl-substituted phenols in water in their gas-chromatographic determination with an electron-capture detector was developed.

  DOI：

  10.1134/s1070427212090108