2-(3-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-ylimino) phenol | 585555-78-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-ylimino) phenol
• 英文别名: 3-(4-fluorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
• CAS: 585555-78-8
• 化学式: C₁₅H₁₁FN₄OS
• 分子量: 314.343
• InChiKey: SNLIBXRFNMRGRX-UHFFFAOYSA-N

物化性质

• 熔点：
  228-282 °C(Solv: ethanol (64-17-5))
• 沸点：
  442.4±55.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氟苯甲酰肼 在 氨 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 生成 2-(3-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-ylimino) phenol
  参考文献：
  名称：

  A novel 5-mercapto triazole Schiff base as a selective chromogenic chemosensor for Cu2+

  摘要：

  A novel colorimetric cation sensor bearing phenol, thiol and HC=N groups was designed and synthesized. In a DMSO/H2O (9:1, v/v) solution, the sensor exhibited highly selective recognition of Cu2+ among a range of metal ions tested. In the presence of Cu2+, solutions of the sensor underwent a dramatic color change from colorless to yellow, while the presence of other metal cations such as Zn2+, Pb2+, Cd2+, Ni2+, Co2+, Fe3+, Hg2+, Ag+ and Ca2+ had no effect on the color. The detection limit of the sensor toward Cu2+ is 8.0 x 10(-7) M and an association constant K-a of 4.3 x 10(5) M-1 was measured. The sensing of Cu2+ by this sensor was found to be reversible, with the Cu2+-incluced color being lost upon addition of EDTA. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.05.068