2,3,4,5-四氯碘苯 | 38411-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,3,4,5-四氯碘苯
• 英文名称: 2,3,4,5-tetrachloroiodobenzene
• 英文别名: tetrachloroiodobenzene；1,2,3,4-Tetrachloro-5-iodobenzene
• CAS: 38411-21-1
• 化学式: C₆HCl₄I
• 分子量: 341.79
• InChiKey: CSBMIAKSTBBXEN-UHFFFAOYSA-N

物化性质

• 熔点：
  79 °C
• 沸点：
  326.3±37.0 °C(Predicted)
• 密度：
  2.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,3,4,5-四氯碘苯 在 sodium methylate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 1,2,3,4-四氯苯
  参考文献：
  名称：

  Bolton, Roger; Moore, Clive; Sandall, John P.B., Journal of the Chemical Society. Perkin transactions II, 1982, p. 1593 - 1598

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,4,5-四氯苯胺 生成 2,3,4,5-四氯碘苯
  参考文献：
  名称：

  多卤代芳族化合物：XXX。正丁基锂与2,3,4,5,6-五氯-N，N-二甲基-苄胺之间的金属卤交换反应

  摘要：

  正丁基锂与2,3,4,5,6-五氯-N，N-二甲基-苄基胺的反应是通过金属卤素交换在二甲基氨基甲基的间位和对位进行的，而不是在邻位进行的。因此，在确定哪个位置进行反应时，取代基的配位作用很小或没有作用。

  DOI：

  10.1016/s0022-328x(00)89735-1

文献信息

• Polyhalogenoaromatic compounds
  作者：Norman J. Foulger、Basil J. Wakefield

  DOI：10.1016/s0022-328x(00)89735-1

  日期：1974.4

  The reaction of n-butyllithium with 2,3,4,5,6-pentachloro-N,N-dimethyl- benzylamine proceeds by metalhalogen exchange at the positions meta and para to the dimethylaminomethyl group, but not at the ortho position. Coordination by the substituent thus plays little or no part in determining which position undergoes reaction.

  正丁基锂与2,3,4,5,6-五氯-N，N-二甲基-苄基胺的反应是通过金属卤素交换在二甲基氨基甲基的间位和对位进行的，而不是在邻位进行的。因此，在确定哪个位置进行反应时，取代基的配位作用很小或没有作用。
• Physical, spectral and chromatographic properties of all 209 individual PCB congeners
  作者：Michael Bolgar、James Cunningham、Russell Cooper、Richard Kozloski、Jack Hubball、Don P. Miller、Terry Crone、Harry Kimball、Anita Janooby、Barry Miller、Billy Fairless

  DOI：10.1016/0045-6535(95)00140-4

  日期：1995.7

  Physical, spectral and chromatographic data for all 209 individual PCB congeners is presented. The individual congeners were synthesized and then isolated and purified. Recent emphasis on the source of the toxicity of commercial PCB formulations has increased the need for a complete set of the PCB congeners. Through the use of two capillary GC columns: 40% octadecyl/ 15% phenyl methyl siloxane and 50% phenyl methyl siloxane, it was possible to separate 201 PCB congeners with only four unresolved pairs. The data compiled in this study for all 209 congeners will aid in the identification of selected individual components of these environmental pollutants. The use of this data also presents the opportunity for the improved quantification of the commercial PCB formulations.
• Cookson,P.G.; Deacon,G.B., Australian Journal of Chemistry, 1973, vol. 26, p. 541 - 555
  作者：Cookson,P.G.、Deacon,G.B.

  DOI：——

  日期：——
• Synthesis and mass spectrometry of some methoxylated PCB
  作者：Å. Bergman、E. Klasson Wehler、H. Kuroki、A. Nilsson

  DOI：10.1016/0045-6535(95)00073-h

  日期：1995.5

  The syntheses of 46 methoxy-polychlorobiphenyls (MeO-CBs), containing 3 to 7 chlorine atoms, are described. The MeO-CBs were synthesized via the Cadogan diaryl coupling reaction of the appropriate polychloroaniline and polychloroanisole, or via the Ullmann coupling of a polychloroiodobenzene and 4-iodoanisole with subsequent chlorination of the isolated 4-MeO-CB product. The synthesized MeO-CBs were characterized by electron ionization (EI) mass spectrometry (MS) on an ion trap MS instrument and by EI and negative ion chemical ionization (NICI) on a quadrupole mass spectrometer.Both instruments gave similar EI spectra but the fragments were in general more abundant relative to the molecular ion, in the spectra obtained from the ion trap instrument. Characteristic fragmentation patterns were obtained by EI for ortho-, meta- and para-MeO-CBs, respectively, depending on the position of the MeO-group, with the exception of three meta-substituted MeO-heptaCBs, with a 3-MeO-2,4,6-trichloro-substitution pattern, that gave an abundant [M-15](+)-fragment, similar to para-substituted MeO-CBs. MS(NICI) of ortho-, meta- and para-MeO-CBs did not give any characteristic fragmentation patterns depending on the position of the MeO-group, except for ortho-substituted MeO-CBs that showed abundant fragments at [M-36]. The MS(NICI) gave approximately 10-50 times higher response for MeO-tetraCBs - MeO-heptaCBs than the MS(EI). The ion trap instrument (ITS40) has a somewhat lower detection-limit than the quadrupole MS when operated in the EI-mode.
• Verfahren zur Formylierung von Arylhalogeniden
  申请人：BAYER AG

  公开号：EP0109606B1

  公开（公告）日：1986-01-22