4,5-bis(3,5,-dichlorophenoxy)-3,6-bis(hexyloxy)phthalonitrile | 1020690-85-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,5-bis(3,5,-dichlorophenoxy)-3,6-bis(hexyloxy)phthalonitrile
• 英文别名: 4,5-Bis(3,5-dichlorophenoxy)-3,6-dihexoxybenzene-1,2-dicarbonitrile
• CAS: 1020690-85-0
• 化学式: C₃₂H₃₂Cl₄N₂O₄
• 分子量: 650.429
• InChiKey: DNMYFIGLONDJRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,5-bis(3,5,-dichlorophenoxy)-3,6-bis(hexyloxy)phthalonitrile 、 3,6-二癸基酞腈 、 zinc(II) acetate dihydrate 以 戊醇 为溶剂， 以9%的产率得到1,4,8,11,18,22,25-octahexyloxy-2,3,9,10,16,17,23,24-octa-(3,5,-dichlorophenoxy)phthalocyaninato zinc(II)
  参考文献：
  名称：

  Preparation and optical properties of novel symmetrical hexadecachlorinatedphthalocyaninato zinc(II) spin coated thin films

  摘要：

  Novel symmetrical 1,4,8,11,15,18,22,25-octahexyloxy-2,3,9,10,16,17,23,24-octa-(3,5-dichlorophenoxy)phthalocyaninato zinc(II) was synthesized and characterized by H-1 NMR, C-13 NMR, MS, UV-Vis, XRD, and IR spectrometry. The synthesized ZnPc complex is soluble in various organic solvents such as CH2Cl2, THF, acetone, and ethyl acetate. This property helped to obtain thin films of the new ZnPc complex by spin coating method. The surface morphology of the thin films was investigated by atomic force microscopy, AFM, and showed that the molecules grow in stacks of rows. The spectrophotometric measurements of transmittance (T) and reflectance (R) spectra were carried out in the wavelength range 190-3000 nm. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.12.020