fluoro-(5,10,15,20-tetraphenylporphyrinato)thallium(III) | 135797-57-8

• 英文名称: fluoro-(5,10,15,20-tetraphenylporphyrinato)thallium(III)
• CAS: 135797-57-8
• 化学式: C₄₄H₂₈FN₄Tl
• 分子量: 836.115
• InChiKey: FCBSNMDORLCNBM-YKKPBKTHSA-M

计算性质

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

• 作为产物：
  描述：

  chloro-(5,10,15,20-tetraphenylporphyrinato)thallium(III) 在 NaF 作用下， 以 二氯甲烷 为溶剂， 生成 fluoro-(5,10,15,20-tetraphenylporphyrinato)thallium(III)
  参考文献：
  名称：

  Synthesis and properties of fluorothallium(III) porphyrins. X-ray crystal structure of fluoro-(5,10,15,20-tetraphenylporphyrinato) thallium(III)

  摘要：

  The action of sodium fluoride on chlorothallium(III) porphyrins, Tl(Por)Cl, produces the corresponding fluoroporphyrins, Tl(Por)F. These complexes were characterized by their H-1-NMR, UV-vis and IR data. The crystal structures of the title compound [Tl(TPP)F] has been determined by X-ray diffraction. It crystallizes in the monoclinic space group P2(1)/n with Z = 4 and lattice dimensions a = 10.118(3), b = 16.236(5), c = 21.189(6) angstrom, beta = 90.86(2)-degrees, V = 3480(2) angstrom 3. C44H28FN4Tl, F(w) = 836.11 g, rho = 1.60 g cm-3, mu = 47.3 cm-1, F(000) = 1640, temperature 23(1)-degrees-C, R(F) = 0.045, Rw(F) = 0.050 for 2135 observed reflections. The thallium-fluorine distance is 2.441(6) angstrom with the thallium atom situated 0.741(1) angstrom above the porphyrin ring.

  DOI：

  10.1016/s0277-5387(00)86905-3