4,5-bis(trifluoromethyl)-3-fluorophthalonitrile | 1374136-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,5-bis(trifluoromethyl)-3-fluorophthalonitrile
• 英文别名: 3-Fluoro-4,5-bis(trifluoromethyl)benzene-1,2-dicarbonitrile；3-fluoro-4,5-bis(trifluoromethyl)benzene-1,2-dicarbonitrile
• CAS: 1374136-24-9
• 化学式: C₁₀HF₇N₂
• 分子量: 282.12
• InChiKey: MCFURFWVCZFXGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  291.8±40.0 °C(Predicted)
• 密度：
  1.58±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,2-二碘-4,5-二甲基苯 在 chromium(VI) oxide 、 ammonium hydroxide 、 copper(l) iodide 、 氯化亚砜 、 硫酸 、 硝酸 、 cesium fluoride 、 尿素 作用下， 以 N-甲基吡咯烷酮 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 138.5h， 生成 4,5-bis(trifluoromethyl)-3-fluorophthalonitrile
  参考文献：
  名称：

  [EN] SYSTEM AND METHOD FOR FLUOROALKYLATED FLUOROPHTHALOCYANINES WITH AGGREGATING PROPERTIES AND CATALYTIC DRIVEN PATHWAY FOR OXIDIZING THIOLS
  [FR] SYSTÈME ET PROCÉDÉ POUR DES FLUOROPHTALOCYANINES FLUOROALKYLÉES PRÉSENTANT DES PROPRIÉTÉS D'AGRÉGATION ET VOIE MENÉE DE FAÇON CATALYTIQUE POUR OXYDATION DE THIOLS

  摘要：

  披露了具有降低立体位阻和具有聚集能力的有机金属材料。金属仍然能够结合额外的分子。例如，提供了证明聚集的锌配合物。这种聚集可能有助于改善材料的表面性质，单独或与其他物质组合使用。在本公开的进一步实施中，提供了一种能够抵抗亲核、亲电和自由基攻击而不易降解的强大分子。配位的（¾被还原催化，尽管催化剂的极端电子亏缺，但能高效产生硫基自由基。

  公开号：

  WO2012061344A1

文献信息

• System and Method for Fluoroalkylated Fluorophthalocyanines With Aggregating Properties and Catalytic Driven Pathway for Oxidizing Thiols
  申请人：Gorun Sergiu M.

  公开号：US20120283430A1

  公开（公告）日：2012-11-08

  Organo-metallic materials with reduced steric hindrance and the ability to aggregate ar disclosed. The metal remains capable of binding additional molecules. As an example, Zn complexes that prove aggregation are provided. Such aggregation may help improve or trigger new surface properties of the materials, alone or in combination with others. In a further implementation of the present disclosure, a robust molecule that resists degradation via nucleophilic, electrophilic and radical attacks is provided. Coordinated O 2 is reduced catalytically, producing efficiently thyil radicals in spite of the extreme electronic deficiency of the catalyst.
• System and Method for Fluoralkylated Fluorophthalocyanines with Aggregating Properties and Catalytic Driven Pathway for Oxidizing Thiols
  申请人：Gorun Sergiu M.

  公开号：US20150368194A1

  公开（公告）日：2015-12-24

  Organo-metallic materials with reduced steric hindrance and the ability to aggregate are disclosed. The metal remains capable of binding additional molecules. As an example, Zn complexes that prove aggregation are provided. Such aggregation may help improve or trigger new surface properties of the materials, alone or in combination with others. In a further implementation of the present disclosure, a robust molecule that resists degradation via nucleophilic, electrophilic and radical attacks is provided. Coordinated O 2 is reduced catalytically, producing efficiently thyil radicals in spite of the extreme electronic deficiency of the catalyst.
• [EN] SYSTEM AND METHOD FOR FLUOROALKYLATED FLUOROPHTHALOCYANINES WITH AGGREGATING PROPERTIES AND CATALYTIC DRIVEN PATHWAY FOR OXIDIZING THIOLS<br/>[FR] SYSTÈME ET PROCÉDÉ POUR DES FLUOROPHTALOCYANINES FLUOROALKYLÉES PRÉSENTANT DES PROPRIÉTÉS D'AGRÉGATION ET VOIE MENÉE DE FAÇON CATALYTIQUE POUR OXYDATION DE THIOLS
  申请人：NEW JERSEY TECH INST

  公开号：WO2012061344A1

  公开（公告）日：2012-05-10

  Organo-metallic materials with reduced steric hindrance and the ability to aggregate are disclosed. The metal remains capable of binding additional molecules. As an example, Zn complexes that prove aggregation are provided. Such aggregation may help improve or trigger new surface properties of the materials, alone or in combination with others. In a further implementation of the present disclosure, a robust molecule that resists degradation via nucleophilic, electrophilic and radical attacks is provided. Coordinated (¾ is reduced catalytically, producing efficiently thyil radicals in spite of the extreme electronic deficiency of the catalyst.

  披露了具有降低立体位阻和具有聚集能力的有机金属材料。金属仍然能够结合额外的分子。例如，提供了证明聚集的锌配合物。这种聚集可能有助于改善材料的表面性质，单独或与其他物质组合使用。在本公开的进一步实施中，提供了一种能够抵抗亲核、亲电和自由基攻击而不易降解的强大分子。配位的（¾被还原催化，尽管催化剂的极端电子亏缺，但能高效产生硫基自由基。