Cobalt(2+);5,6,8,14,15,17,23,24,26,32,33,35-dodecachloro-7,16,25,34-tetraphenoxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene | 1061715-72-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cobalt(2+);5,6,8,14,15,17,23,24,26,32,33,35-dodecachloro-7,16,25,34-tetraphenoxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• CAS: 1061715-72-7
• 化学式: C₅₆H₂₀Cl₁₂CoN₈O₄
• 分子量: 1353.26
• InChiKey: QNQTVLNFMOMPOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.13
• 重原子数：
  81
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,5,6-trichloro-4-(phenoxy)phthalonitrile 在 ammonium molybdate 、 cobalt(II) chloride 作用下， 反应 3.0h， 生成 Cobalt(2+);5,6,8,14,15,17,23,24,26,32,33,35-dodecachloro-7,16,25,34-tetraphenoxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
  参考文献：
  名称：

  Phthalocyanines and related compounds: XLV. Nucleophilic substitution of chlorine in tetrachlorophthalonitrile: Synthesis of aryloxy-aubstituted phthalonitriles and phthalocyanines derived from them

  摘要：

  Nucleophilic substitution of chlorine in tetrachlorophthalonitrile by the reaction with aryloxy anions is studied. Depending on the reactant ratio, the products of substitution of one, two, and/or three chlorine atoms are formed. Their tetramerization gives aryloxychloro-substituted phthalocyanines having the absorption band in the near-IR range.

  DOI：

  10.1134/s1070363207060308