2,5-Dibrom-3,6-dichlor-[1,4]benzochinon | 27728-25-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5-Dibrom-3,6-dichlor-[1,4]benzochinon
• 英文别名: 2,5-Dibromo-3,6-dichloro-p-benzoquinone；2,5-dibromo-3,6-dichlorocyclohexa-2,5-diene-1,4-dione
• CAS: 27728-25-2
• 化学式: C₆Br₂Cl₂O₂
• 分子量: 334.779
• InChiKey: NQIKUIOPNRRSOP-UHFFFAOYSA-N

物化性质

• 沸点：
  303.0±42.0 °C(Predicted)
• 密度：
  2.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 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：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,5-Dibrom-3,6-dichlor-[1,4]benzochinon 在 铜 作用下， 生成 (2,5-Dibromo-3,6-dichloro-4-methoxy-phenoxy)-methoxy-acetic acid ethyl ester
  参考文献：
  名称：

  Eistert,B. et al., Justus Liebigs Annalen der Chemie, 1970, vol. 735, p. 145 - 157

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-1,4-苯醌 在 盐酸 、 溴 、 溶剂黄146 作用下， 生成 2,5-Dibrom-3,6-dichlor-[1,4]benzochinon
  参考文献：
  名称：

  Molecular Characterization in the VP7, VP4 and NSP4 Genes of Human Rotavirus Serotype 4 (G4) Isolated in Japan and Kenya

  摘要：

  AbstractThe VP7, VP4 and NSP4 genes of human rotavirus serotype 4 (G4) were analyzed to investigate intraserotypic variations. The techniques used included reverse transcription polymerase chain reaction with subtype specific primers, restriction fragment length polymorphism analysis and sequence analysis. Twelve isolates (nine from Japan and three from Kenya) and two standard strains (Hochi, Odelia) were G4A P[8] Wa group NSP4. A standard strain (ST3) was G4A P[6] Wa group NSP4 and a strain (VA70) was G4B P[8] Wa group NSP4. These results show G4 rotaviruses can be divided into three combinations at the moment.

  DOI：

  10.1111/j.1348-0421.2001.tb01286.x

文献信息

• Synthesis and biological screening of octasubstituted-triphenodioxazines and its sulphur analogues with some novel intermediates
  作者：Lalchand Heda、Chandresh Pareek、Dushyant Pareek、Sonraj Mosalpuri

  DOI：10.2478/s11532-009-0100-5

  日期：2010.2.1

  Attempts have been made to prepare for the first time the octasubstituted-triphenodioxazines and triphenodithiazines heterocycles by cyclisation of 3,6-dichloro-2,5-bis(2′,4′,5′-trichloroanilino)-1,4-benzoquinone and condensation. This wasfollowed by cyclisation of substituted 2-aminobenzenethiol respectively with chloranil and bromanil in ethanolic solution of fused sodium acetate in the presence

  首次尝试通过 3,6-二氯-2,5-双(2',4',5'-三氯苯胺基)-1,4-苯醌和三苯醌的环化来制备八取代的三苯二恶嗪和三苯二噻嗪杂环。缩合。随后在苯甲酰氯的硝基苯中，在熔融乙酸钠的乙醇溶液中，分别用氯苯醌和溴苯醌将取代的2-氨基苯硫醇环化。它们的结构在化学和光谱分析的基础上得到证实。此外，针对测试生物，即大肠杆菌、金黄色葡萄球菌、枯草芽孢杆菌、藤黄假单胞菌和白色念珠菌，评估了这些化合物的生物活性。这些化合物由 2,4,
• The Electronic States of 2,5-Dibromo-3,6-dichloro-1,4-benzo-quinone and Its Anion Radical as Studied Means of Their Infrared Spectra
  作者：Yoichi Iida

  DOI：10.1246/bcsj.47.99

  日期：1974.1

  The infrared spectra (400–4000 cm−1) of neutral 2,5-dibromo-3,6-dichloro-1,4-benzoquinone and its anion radical were measured in order to observe the appreciable frequency differences between their corresponding bands. The vibrational assignments were made and the simple Urey-Bradley force fields were determined for both the neutral 2,5-dibromo-3,6-dichloro-1,4-benzoquinone and its anion radical. The

  测量中性 2,5-dibromo-3,6-dichloro-1,4-benzoquinone 及其阴离子自由基的红外光谱 (400–4000 cm-1) 以观察它们相应波段之间的明显频率差异。对中性 2,5-二溴-3,6-二氯-1,4-苯醌及其阴离子自由基进行了振动分配并确定了简单的 Urey-Bradley 力场。在这些实验和理论结果的基础上研究了这两种分子之间的分子和电子结构的差异。发现阴离子自由基的半占据分子轨道属于 bg 不可约表示。
• Ling, Journal of the Chemical Society, 1887, vol. 51, p. 786
  作者：Ling

  DOI：——

  日期：——
• Krause, Chemische Berichte, 1879, vol. 12, p. 54
  作者：Krause

  DOI：——

  日期：——
• Ried,W.; Dietrich,R., Justus Liebigs Annalen der Chemie, 1961, vol. 649, p. 57 - 70
  作者：Ried,W.、Dietrich,R.

  DOI：——

  日期：——