| 1417643-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1417643-83-4
• 化学式: C₇H₅IO₂*C₁₅H₂₂O₃
• 分子量: 498.358
• InChiKey: XYXROOQENUIXHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.11
• 重原子数：
  28.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  83.83
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-正辛氧基苯甲酸 、 3-碘苯甲酸 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Thermal and optical characterization of a novel series of supramolecular liquid crystals

  摘要：

  Supramolecular hydrogen bonded liquid crystal (SMHBLC) homologous series is synthesized and characterized. Hydrogen bond is formed between p-n-alkyloxy benzoic acids (nOBA, where n = 7 to 12) and Iodo substituted benzoic acid (I(m)BA) respectively. The isolated homologs are characterized by various techniques like Polarizing Optical Microscopy (POM), Differential Scanning Calorimetry (DSC), H-1 Nuclear Magnetic Resonance Spectroscopy (NMR) and Fourier Transform Infrared Spectroscopy (FTIR). From the POM and DSC studies phase diagram has been constructed and discussed. A new smectic ordering, labeled as smectic R, has been characterized which exhibits a ribbon like texture. This phase is observed in a complex pertaining to the undecyloxy carbon number. Tilt angle in smectic R phase and in traditional smectic C of all the complexes have been experimentally deduced and the results are fitted and so obtained beta value concurrences with the Mean field theory predicted value. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.physb.2012.05.029