2,2',3,4,4',5,5',6-octachlorodiphenyl ether | 83992-75-0

• 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: 2,2',3,4,4',5,5',6-octachlorodiphenyl ether
• 英文别名: 2,2',3,4,4',5,5',6-Octachlorobiphenyl ether；1,2,3,4,5-Pentachloro-6-(2,4,5-trichlorophenoxy)benzene
• CAS: 83992-75-0
• 化学式: C₁₂H₂Cl₈O
• 分子量: 445.771
• InChiKey: PKOSPVZTRLMBSK-UHFFFAOYSA-N

物化性质

• 沸点：
  425.4±45.0 °C(Predicted)
• 密度：
  1.743±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  五氯酚 以68%的产率得到
  参考文献：
  名称：

  Nevalainen Taplo, Koistinen Jaana, Nurmela Pirjo, Environ. Sci. and Technol., 28 (1994) N 7, S 1341-1347

  摘要：

  DOI：

文献信息

• Photochemistry of irgasan-triflate: A simple conversion of an aromatic hydroxyl group to chlorine in the synthesis of polychlorinated diphenyl ethers and polychlorinated dibenzofurans
  作者：Yoon-Seok Chang、Jung-suk Jang、Max L Delnzer

  DOI：10.1016/s0040-4020(01)86752-1

  日期：——

  Several chlorophenoxy phenols were converted to their triflates by reaction with trifluoromethanesulfonyl chloride. The trifilates undergo triplet seneltlzed photolytic cyclizations at 300 nm in acetone to give chlorodibenzofurans or singlet state substitution reactions in carbon tetrachloride saturated with chlorine gas to give the corresponding chlorine substituted diphenyl ethers. 2-Chloro-3-hydroxy

  通过与三氟甲磺酰氯反应，将几种氯苯氧基苯酚转化为三氟甲磺酸。三氟甲磺酸盐在丙酮中于300 nm处进行三重骨架的光解环化反应，得到氯二苯并呋喃或在四氯化碳中被氯气饱和的单重态取代反应，得到相应的氯取代的二苯醚。类似地，将2-氯-3-羟基二苯并呋喃转化为2，3-二氯二苯并呋喃。氯取代三氟甲磺酸酯的机理似乎与氯-芳烃π络合有关。
• Synthesis, Structure Verification, and Chromatographic Relative Retention Times for Polychlorinated Diphenyl Ethers
  作者：Tapio. Nevalainen、Jaana. Koistinen、Pirjo. Nurmela

  DOI：10.1021/es00056a024

  日期：1994.7.1

  Fifty-four polychlorinated diphenyl ether (PCDEs) congeners were synthesized, and their structures were confirmed by mass spectrometry and proton magnetic resonance spectroscopy. The gas chromatographic relative retention times (RRT) for the PCDEs were determined relative to a reference standard, [C-13-3,3',4,4']-tetrachlorobiphenyl (PCB 77) on the fused silica capillary columns of SE-54 and OV-1701. The retention times for PCDEs increased with the increasing number of vicinal chlorines within a series of isomers. The chlorine substitution patterns of PCDEs were used to develop a method for predicting RRTs for congeners that were not synthesized.
• NESTRICK T. J.; LAMPARSKI L. L.; CRUMMETT W. B., CHEMOSPHERE, 16,(1987) N 4, 777-790
  作者：NESTRICK T. J.、 LAMPARSKI L. L.、 CRUMMETT W. B.

  DOI：——

  日期：——
• Nevalainen Taplo, Koistinen Jaana, Nurmela Pirjo, Environ. Sci. and Technol., 28 (1994) N 7, S 1341-1347
  作者：Nevalainen Taplo, Koistinen Jaana, Nurmela Pirjo

  DOI：——

  日期：——