o-phenylenediamine; picrate | 78576-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: o-phenylenediamine; picrate
• 英文别名: o-Phenylendiamin; Picrat；2-Aminoanilinium picrate；(2-aminophenyl)azanium;2,4,6-trinitrophenolate
• CAS: 78576-95-1
• 化学式: C₆H₃N₃O₇*C₆H₈N₂
• 分子量: 337.249
• InChiKey: KXCIQMJNOQABGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.63
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  214
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  苦味酸 、 邻苯二胺 生成 o-phenylenediamine; picrate
  参考文献：
  名称：

  Issa, Yousry M.; Hindawey, Ahmed M.; El-Kholy, Ali E., Gazzetta Chimica Italiana, 1981, vol. 111, # 1/2, p. 27 - 34

  摘要：

  DOI：

文献信息

• Synthesis, spectral and thermal studies of the newly hydrogen bonded charge transfer complex of o-phenylenediamine with π acceptor picric acid
  作者：Ishaat M. Khan、Afaq Ahmad

  DOI：10.1016/j.saa.2010.06.011

  日期：2010.10

  Newly proton or charge transfer complex [(OPDH)(+)(PA)(-)] was synthesized by the reaction of the donor, o-phenylenediamine (OPD) with acceptor, 2,4,6-trinitrophenol (PAH). The chemical reaction has occurred via strong hydrogen bonding followed by migration of proton from acceptor to donor. UV-vis, H-1 NMR and FTIR spectra, in addition to the thermal and elemental analysis were used to confirm the proposed occurrence of the chemical reaction and to investigate the newly synthesized solid CT complex. The stoichiometry of the CT complex was found to be 1:1. The formation constant and molar extinction coefficient of the CT complex were evaluated by the Benesi-Hildebrand equation. (C) 2010 Elsevier B.V. All rights reserved.