1-chloro-3,4-dihydroxy-2-methyl-anthraquinone | 860572-28-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-chloro-3,4-dihydroxy-2-methyl-anthraquinone
• 英文别名: 1-Chlor-3,4-dihydroxy-2-methyl-anthrachinon；1-Chloro-3,4-dihydroxy-2-methylanthracene-9,10-dione
• CAS: 860572-28-7
• 化学式: C₁₅H₉ClO₄
• 分子量: 288.687
• InChiKey: SKHUHXXRBMUPCY-UHFFFAOYSA-N

物化性质

• 熔点：
  178-180 °C
• 沸点：
  506.2±50.0 °C(Predicted)
• 密度：
  1.567±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硫酸 、 1-chloro-3,4-dihydroxy-2-methyl-anthraquinone 、 偏硼酸 、 alkaline earth salt of/the/ methylsulfuric acid 生成 羟基茜草素
  参考文献：
  名称：

  Metasomatic coronas around hornblendite xenoliths in granulite facies marble, Ivrea zone, N Italy. II: Oxygen isotope patterns

  摘要：

  Up to 20-cm-wide metasomatic reaction bands formed coronas around hornblendite xenoliths in a marble matrix during high grade metamorphism in the Ivrea zone. The coronas are comprised of an innermost monomineralic clinopyroxene layer, a garnet-clinopyroxene layer and an outermost scapolite-clinopyroxene layer. The oxygen isotope composition of the original hornblendite core is 7%,, relative to V-SMOW and the oxygen isotope composition of the marble matrix is 19.7 parts per thousand. The oxygen isotope transition across the corona is represented by a diffusion front with a step discontinuity at the inner margin of the corona. The systematics of the inter-mineral fractionations indicates preservation of the oxygen isotope compositions from high temperatures and maintenance of grain-scale oxygen isotope equilibrium during corona formation. The oxygen isotope pattern is interpreted in terms of a moving boundary diffusion problem. The growing reaction band and the reactant hornblendite and marble represent a total of five media with different transport properties and moving separation surfaces. Bulk oxygen diffusion was at least three orders of magnitude faster then expected from volume diffusion, suggesting that transport was enhanced by relatively fast diffusion along grain boundaries. Oxygen diffusivities in the individual layers correlate with the oxygen volume diffusivities in the major constituent minerals of the respective layers, suggesting mineralogical control on bulk oxygen diffusion.

  DOI：

  10.1007/s004100100256
• 作为产物：
  描述：

  1,2-二羟基-3-甲基蒽醌 在 磺酰氯 、 碘 、 硝基苯 作用下， 生成 1-chloro-3,4-dihydroxy-2-methyl-anthraquinone
  参考文献：
  名称：

  Metasomatic coronas around hornblendite xenoliths in granulite facies marble, Ivrea zone, N Italy. II: Oxygen isotope patterns

  摘要：

  Up to 20-cm-wide metasomatic reaction bands formed coronas around hornblendite xenoliths in a marble matrix during high grade metamorphism in the Ivrea zone. The coronas are comprised of an innermost monomineralic clinopyroxene layer, a garnet-clinopyroxene layer and an outermost scapolite-clinopyroxene layer. The oxygen isotope composition of the original hornblendite core is 7%,, relative to V-SMOW and the oxygen isotope composition of the marble matrix is 19.7 parts per thousand. The oxygen isotope transition across the corona is represented by a diffusion front with a step discontinuity at the inner margin of the corona. The systematics of the inter-mineral fractionations indicates preservation of the oxygen isotope compositions from high temperatures and maintenance of grain-scale oxygen isotope equilibrium during corona formation. The oxygen isotope pattern is interpreted in terms of a moving boundary diffusion problem. The growing reaction band and the reactant hornblendite and marble represent a total of five media with different transport properties and moving separation surfaces. Bulk oxygen diffusion was at least three orders of magnitude faster then expected from volume diffusion, suggesting that transport was enhanced by relatively fast diffusion along grain boundaries. Oxygen diffusivities in the individual layers correlate with the oxygen volume diffusivities in the major constituent minerals of the respective layers, suggesting mineralogical control on bulk oxygen diffusion.

  DOI：

  10.1007/s004100100256