2,3,5,6-tetrachloro-2-(pentachlorophenoxy)anisole | 50392-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3,5,6-tetrachloro-2-(pentachlorophenoxy)anisole
• 英文别名: tetrachloro-4-(pentachlorophenoxy)anisole；4-Methoxy-nonachlordiphenyl-aether；1,2,3,4,5-Pentachloro-6-(2,3,5,6-tetrachloro-4-methoxyphenoxy)benzene；1,2,3,4,5-pentachloro-6-(2,3,5,6-tetrachloro-4-methoxyphenoxy)benzene
• CAS: 50392-51-3
• 化学式: C₁₃H₃Cl₉O₂
• 分子量: 510.243
• InChiKey: WDMISAQHDFXKSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  464.0±45.0 °C(Predicted)
• 密度：
  1.749±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 4-羟基九氯二苯基醚 以 乙醚 为溶剂， 生成 2,3,5,6-tetrachloro-2-(pentachlorophenoxy)anisole
  参考文献：
  名称：

  Electron capture negative ion and positive ion chemical ionization mass spectrometry of polychlorinated phenoxyanisoles

  摘要：

  AbstractSeveral polychlorinated phenoxyphenols with three to nine chlorine atoms were examined as their methyl ethers by electron capture negative ion and positive ion chemical ionization and electron impact mass spectrometry. In chemical ionization studies methane, hydrogen, nitrogen, helium and argon were used as reagent gases. Selected compounds were also examined with deuteriomethane, ammonia and deuterioammonia as reagent gases. Utilization of chemical ionization spectra in conjuction with electron impact spectra provides substantial structural information about these compounds. Chemical ionization spectra provide information about chlorine atom substitution. The position of phenoxy substitution can be established from electron capture negative ion and positive ion spectra.

  DOI：

  10.1002/oms.1210200210

文献信息

• Electron capture negative ion and positive ion chemical ionization mass spectrometry of polychlorinated phenoxyanisoles
  作者：Jo-Anne B. Campbell、Donald A. Griffin、Max L. Deinzer

  DOI：10.1002/oms.1210200210

  日期：1985.2

  AbstractSeveral polychlorinated phenoxyphenols with three to nine chlorine atoms were examined as their methyl ethers by electron capture negative ion and positive ion chemical ionization and electron impact mass spectrometry. In chemical ionization studies methane, hydrogen, nitrogen, helium and argon were used as reagent gases. Selected compounds were also examined with deuteriomethane, ammonia and deuterioammonia as reagent gases. Utilization of chemical ionization spectra in conjuction with electron impact spectra provides substantial structural information about these compounds. Chemical ionization spectra provide information about chlorine atom substitution. The position of phenoxy substitution can be established from electron capture negative ion and positive ion spectra.