1,2-(HgBr2)C6F4 | 49622-66-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 1,2-(HgBr2)C6F4
• 英文别名: 1,2-bis(bromomercurio)tetrafluorobenzene；Mercury(1+);1,2,3,4-tetrafluorocyclohexa-1,3-dien-5-yne;dibromide；mercury(1+);1,2,3,4-tetrafluorocyclohexa-1,3-dien-5-yne;dibromide
• CAS: 49622-66-4
• 化学式: C₆Br₂F₄Hg₂
• 分子量: 709.048
• InChiKey: BOJVAYIFOZQNPH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  14
• 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：
  6

反应信息

• 作为反应物：
  描述：

  1,2-(HgBr2)C6F4 在 sodium iodide 作用下， 以 乙醇 、 水 为溶剂， 生成 perfluoro-o-phenylenemercury trimer
  参考文献：
  名称：

  Some reactions of phenylene-and polyphenylene-mercurials

  摘要：

  DOI：

  10.1016/0022-328x(86)82072-1
• 作为产物：
  描述：

  perfluoro-o-phenylenemercury trimer 、 mercury dibromide 以 甲醇 为溶剂， 生成 1,2-(HgBr2)C6F4
  参考文献：
  名称：

  Some reactions of phenylene-and polyphenylene-mercurials

  摘要：

  DOI：

  10.1016/0022-328x(86)82072-1

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.SVol.3, 6.2.2, page 1 - 48
  作者：

  DOI：——

  日期：——
• Organomercury compounds XX Reactions of lithium polyfluorobenzenesulphinates with mercuric salts
  作者：R.J. Bertino、B.A.W. Coller、G.B. Deacon、I.K. Johnson

  DOI：10.1016/s0022-1139(00)81712-1

  日期：1975.4
• Perfluorinated Diindacycles
  作者：Martin Tschinkl、Annette Schier、Jürgen Riede、François P. Gabbaï

  DOI：10.1021/ic980403o

  日期：1998.10.5

  The reaction of 1,2-bis(halomercurio)tetrafluorobenzene (halide = chloride (3) or bromide (4)) with the corresponding indium(I) halide in THF results in spontaneous ring closure and formation of the tetrakis(THF) adducts of 9,10-dichloro-9,10-dihydro-9,10-diindaoctafluoroanthracene (5) and 9,10-dibromo-9,10-dihydro-9,10-diindaoctafluoroanthracene (6), respectively. Diindacycle 6 can also be prepared by reaction of indium(I) bromide with trimeric perfluoro-o-phenylenemercury in refluxing toluene, followed by treatment with THF. Upon addition of pyridine, the ligated THF molecules of 6 are readily displaced and 9,10-dibromo-9,10-dihydro-9,10-diindaoctafluoroanthracene tetrakis(pyridine) (7) is obtained. Compounds 5-7 have been characterized by H-1, C-13, and F-19 NMR spectroscopy, MSCI, and elemental analysis, and their molecular structure has been determined by single-crystal X-ray analysis. All compounds crystallize in monoclinic space groups. Two modifications of compound 6 have been analyzed. 5: space group P2(1)/c with a = 9.686(1) Angstrom, b = 11.071(1) Angstrom, c = 15.725(2) Angstrom, beta = 105.55(1)degrees, V = 1624.5(3) Angstrom(3), and Z = 2. 6: space group P2(1)/c with a = 9.636(1) Angstrom, b = 11.129(1) Angstrom, c = 16.029(2) Angstrom, beta = 104.40(1)degrees, V = 1664.9(3) Angstrom(3), and Z = 2; space group P2(1)/c with a = 10.258(1) Angstrom, b = 13.926(1) Angstrom, c = 11.892(2) Angstrom, beta = 97.86(1)degrees, V = 1682.8(2) Angstrom(3), Z = 2. 7. space group P2(1)/c with a = 17.632(2) Angstrom, b = 15.010(1) Angstrom, c = 14.562(1) Angstrom, beta = 101.72(1)degrees, V = 3773.6(6) Angstrom(3), and Z = 4. The perfluorination of the phenylene rings in 5-7 has a consequent effect on the Lewis acidity of the indium centers which is reflected by the relatively short O-In and N-In dative bond distances.
• MASSEY A. G.; AL-JABAR N. A. A.; HUMPHRIES R. E.; DEACON G. B., J. ORGANOMET. CHEM., 316,(1986) N 1-2, 25-39
  作者：MASSEY A. G.、 AL-JABAR N. A. A.、 HUMPHRIES R. E.、 DEACON G. B.

  DOI：——

  日期：——