3-chloro-2,4,6-trifluorofluorobenzonitrile | 31881-88-6

• 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: 3-chloro-2,4,6-trifluorofluorobenzonitrile
• 英文别名: 3-Chlor-2,4,5,6-tetrafluorbenzonitril；3-chloro-2,4,5,6-tetrafluorobenzonitrile；3-chlorotetrafluorophenyl cyanide；3-Chloro-tetrafluorobenzonitrile；1-cyano-3-chloro-2,4,5,6-tetrafluoro-benzene；Benzonitrile, 3-chloro-2,4,5,6-tetrafluoro-
• CAS: 31881-88-6
• 化学式: C₇ClF₄N
• 分子量: 209.53
• InChiKey: SMPPDKRKAOZGQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-chloro-2,4,6-trifluorofluorobenzonitrile 在 硫酸 作用下， 以 not given 为溶剂， 以88%的产率得到3-氯-2,4,5,6-四氟苯甲酸
  参考文献：
  名称：

  多氟芳烃。第十六部分。五氟苄腈的便捷合成

  摘要：

  五氯苄腈与无水氟化钾在300–480°下反应，得到五氟苄腈，3-氯四氟苄腈和3,5-二氯三氟苄腈。在350°下获得70％的五氟苄腈收率。

  DOI：

  10.1039/j39710001341
• 作为产物：
  描述：

  五氯苯甲腈 生成 3-chloro-2,4,6-trifluorofluorobenzonitrile
  参考文献：
  名称：

  KAIEDA, OSAMU;AWASHIMA, MASARU;OKITAKA, ISAO;NAKAMURA, TOSHIAKI

  摘要：

  DOI：

文献信息

• [EN] PROCESS FOR PREPARATION OF HALOGENATED BENZYLAMINE AND INTERMEDIATES THEROF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE BENZYLAMINE HALOGÉNÉE ET DE SES INTERMÉDIAIRES
  申请人：SRF LTD

  公开号：WO2020152711A1

  公开（公告）日：2020-07-30

  The present invention provides an improved process for the preparation of halogenated benzylamine having the formula I from halogenated benzonitriles, Formula I wherein, X1 is selected from group consisting of hydrogen, chloro or fluoro, provided atleast one X1 is chloro or fluoro.

  本发明提供了一种改进的工艺，用于从卤代苯腈制备具有化学式I的卤代苄胺，式中X1选自氢、氯或氟的组，要求至少有一个X1为氯或氟。
• Process for the dechlorination and/or debromination of fluorine-and
  申请人：Bayer Aktiengesellschaft

  公开号：US05283378A1

  公开（公告）日：1994-02-01

  Fluorine- and chlorine- and/or bromine-containing aromatic compounds are dechlorinated and/or debrominated with hydrogen in an industrially advantageous and selective manner, if the palladium catalyst is present in stationary phase and the aromatic compound in gas phase.

  含氟、氯和/或溴的芳香化合物可以通过氢气在工业上优越和选择性的方式下脱氯和/或脱溴，如果钯催化剂存在于固定相中，而芳香化合物存在于气相中。
• Pyrazinone derivatives as insecticides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0408196A2

  公开（公告）日：1991-01-16

  Pyrazinone derivatives useful as insecticides have the formula (I) : wherein A is N or C-R¹; R¹ and R² are independently selected from hydrogen, halogen, haloalkyl, cyano or nitro; R³ and R⁴ are independently selected from hydrogen, halogen, alkyl or cycloalkyl; R⁵ is cyano, halo, nitro, alkoxy, haloalkyl, haloalkoxy or -S(O)nR¹⁰; R⁶ is halo, cyano, nitro, haloalkyl, haloalkoxy, alkoxycarbonyl or -S(O)nR¹⁰; R⁷ is hydrogen, halogen, cyano, nitro, alkyl, alkoxy, alkylthio, haloalkylthio, alkoxycarbonyl, NR¹¹R¹² or haloalkyl; R⁸ is H, halo, NR¹¹R¹², alkyl, cycloalkyl or S(O)nR¹⁰; and R⁹ is oxygen or sulphur; where n is 0, 1 or 2; and R¹⁰ is alkyl, haloalkyl or cycloalkyl and R¹¹ and R¹² are independently selected from hydrogen, alkyl, cycloalkyl, benzyl or substituted benzyl.

  可用作杀虫剂的吡嗪酮衍生物具有式 (I) ： 其中 A 是 N 或 C-R¹；R¹ 和 R² 独立选自氢、卤素、卤代烷基、氰基或硝基；R³ 和 R⁴ 独立选自氢、卤素、烷基或环烷基；R⁵ 是氰基、卤素、硝基、烷氧基、卤代烷基、卤代烷氧基或 -S(O)nR¹⁰； R⁶ 是卤素、氰基、硝基、卤代烷基、卤代烷氧基、烷氧羰基或 -S(O)nR¹⁰；R⁷ 是氢、卤素、氰基、硝基、烷基、烷氧基、烷硫基、卤代烷硫基、烷氧基羰基、NR¹¹R¹² 或卤代烷基；R⁸ 是氢、卤素、NR¹¹R¹²、烷基、环烷基或 S(O)nR¹⁰ ；其中 n 为 0、1 或 2；R¹⁰ 为烷基、卤代烷基或环烷基，R¹ 和 R¹² 独立选自氢、烷基、环烷基、苄基或取代的苄基。
• Method for production of organic fluorine compound
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0899256A2

  公开（公告）日：1999-03-03

  A method for the production of an aromatic fluorine compound is provided which is capable of preventing the occurrence of benzoic acid fluorides during the course of a halogenation exchange reaction or allowing removal of the benzoic acid fluorides formed at all. A method for the production of an organic fluorine compound is disclosed which comprises preventing the occurrence of acid fluorides of an aromatic compound during the production of the organic fluorine compound by the reaction of an organic chlorine or bromine compound with a fluorinating agent in benzonitrile as a solvent or allowing removal of the acid fluorides formed.

  本发明提供了一种生产芳香族含氟化合物的方法，该方法能够防止在卤化交换反应过程中出现苯甲酸氟化物，或能够从根本上去除所形成的苯甲酸氟化物。本发明公开了一种生产有机氟化合物的方法，该方法包括在生产有机氟化合物的过程中，通过有机氯或溴化合物与氟化剂在苯甲腈作为溶剂中的反应，防止出现芳香族化合物的酸性氟化物，或允许去除形成的酸性氟化物。
• Method for production of aromatic fluorine compound
  申请人：——

  公开号：US20020035301A1

  公开（公告）日：2002-03-21

  A method for efficiently extracting a reaction product containing a target aromatic fluorine compound formed by the halogen exchange reaction of an aromatic chlorine compound with a fluorinating agent quickly from the reaction vessel without suffering part of the reaction product to remain as a residue inside the reaction vessel is disclosed. Specifically, the reaction product is extracted from the reactor subsequently to the halogen exchange reaction at a temperature in the range of 20-250° C. By this method, the reaction product formed in consequence of the halogen exchange reaction can be efficiently extracted quickly from the reaction vessel, and that without suffering occurrence of a residue of the reaction product.

  本发明公开了一种方法，用于从反应容器中快速提取由芳香族氯化合物与氟化剂的卤素交换反应形成的含有目标芳香族氟化合物的反应产物，而不会使部分反应产物作为残留物留在反应容器中。具体地说，反应产物是在卤素交换反应之后，在 20-250°C 的温度范围内从反应器中提取出来的。通过这种方法，可以有效地从反应容器中快速提取卤素交换反应生成的反应产物，而且不会出现反应产物残留的情况。