4'-氟-3'-甲基-2,2,2-三氟苯乙酮 | 845823-10-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4'-氟-3'-甲基-2,2,2-三氟苯乙酮
• 英文名称: 4'-Fluoro-3'-methyl-2,2,2-trifluoroacetophenone
• 英文别名: 2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanone
• CAS: 845823-10-1
• 化学式: C₉H₆F₄O
• 分子量: 206.14
• InChiKey: LXYZEMSITQZCRP-UHFFFAOYSA-N

物化性质

• 沸点：
  206.9±35.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090
• 安全说明：
  S26,S36/37/39

文献信息

• PROCESS FOR THE PREPARATION OF 1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE AND DERIVATIVES THEREOF
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：US20170217865A1

  公开（公告）日：2017-08-03

  A process for the preparation of a compound of formula (I) wherein R 1 is hydrogen, fluoro or chloro; which process comprises: a) reacting a compound of formula (II) wherein R 1 is hydrogen, fluoro or chloro; with a nitration agent to the compound of formula (III) wherein R 1 is hydrogen, fluoro or chloro; b) reacting the compound of formula (III) with trichloroisocyanuric acid in the presence of sulfuric acid or fuming sulfuric acid to the compound of formula (IV) wherein R1 is hydrogen, fluoro or chloro; and c) reacting the compound of formula (III) with chlorine gas at a temperature from 180° C. to 250° C. to the compound of formula (I).