1,1,1-三氯五氟丙烷 | 4259-43-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 1,1,1-三氯五氟丙烷
• 英文名称: 1,1,1-trichloro-2,2,3,3,3-pentafluoropropane
• 英文别名: 1,1,1-trichloropentafluoropropane；trichloropentafluoro-propane；1,1,1-trichloro-2,2,3,3,3-pentafluoro-propane；1,1,1-trichloro-pentafluoro-propane；1,1,1-Trichlor-pentafluor-propan；CF3CF2CCl3
• CAS: 4259-43-2
• 化学式: C₃Cl₃F₅
• 分子量: 237.384
• InChiKey: HJRXHKBZNQULJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1,1-三氯五氟丙烷 生成 二氯五氟丙烷
  参考文献：
  名称：

  MORIKAVA, SINSUKEH;SAMEHDZIMA, SYUNITI;JOSITAKEH, MISIRU;ONISI, KEHJITI;T+

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1,1,2,2-五氟丙烷 在 氯 作用下， 生成 1,1,1-三氯五氟丙烷
  参考文献：
  名称：

  WO2023/164125

  摘要：

  公开号：

文献信息

• Process for the production of fluorinated organic compounds and fluorinating agents
  申请人：——

  公开号：US20030176747A1

  公开（公告）日：2003-09-18

  A process for the production of a fluorinated organic compound, characterized by fluorinating an organic compound having a hydrogen atoms using IF 5 ; and a novel fluorination process for fluorinating an organic compound having a hydrogen atoms by using a fluorinating agent containing IF 5 and at least one member selected from the group consisting of acids, bases, salts and additives.

  一种用IF5对含有氢原子的有机化合物进行氟化的生产过程；以及一种新颖的氟化过程，通过使用含有IF5和来自酸、碱、盐和添加剂组成的至少一种成员的氟化剂对含有氢原子的有机化合物进行氟化。
• FLUORINE-CONTAINING AROMATIC COMPOUND AND MANUFACTURING METHOD THEREFOR
  申请人：Asahi Glass Company, Limited

  公开号：US20140357906A1

  公开（公告）日：2014-12-04

  A method of manufacturing a fluorine-containing aromatic compound represented by the following formula (2-1) or formula (2-2): [R is a hydrogen atom, an alkyl group having a carbon number of 1 to 12 which may have a substituent other than a fluorine atom, or a monovalent aromatic group which may have a substituent; Rf 1 and Rf 2 are a fluorine-containing alkyl group having a carbon number of 1 to 12 and Rf 1 and Rf 2 may be the same or different; and m is an integer of 1 or more, n is an integer of 0 or more and m+n is an integer of 1 or more and 5 or less].

  一种制造含氟芳香化合物的方法，该化合物由以下公式（2-1）或公式（2-2）表示：[R为氢原子，具有1至12个碳原子的烷基基团，除氟原子以外可能具有取代基，或具有取代基的一价芳香基团；Rf1和Rf2为具有1至12个碳原子的含氟烷基基团，Rf1和Rf2可能相同也可能不同；m为1或更多的整数，n为0或更多的整数，m+n为1或更多且不超过5的整数]。
• FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME
  申请人：Asahi Glass Company, Limited

  公开号：US20150284305A1

  公开（公告）日：2015-10-08

  The present invention relates to a method containing reacting a compound represented by the following formula (1) and a compound represented by a formula R f1 X under light irradiation in a halogen-containing solvent in the presence of a thiosulfate salt and thereby obtaining a fluorine-containing compound represented by the following formula (2) and/or a fluorine-containing compound represented by the following formula (3), in which X represents an iodine atom or a bromine atom, R f1 represents a fluorine-containing alkyl group having a carbon number of from 1 to 12, in which one or more fluorine atoms directly bond to the carbon atom that serves as an atomic bond, m is an integer of 1 or more, n is an integer of 0 or more, and m+n is an integer of 1 or more and 4 or less,

  本发明涉及一种方法，其中在卤素含溶剂中，在硫代硫酸盐的存在下，通过光照作用，使得式（1）所表示的化合物与式Rf1X所表示的化合物发生反应，从而得到式（2）所表示的含氟化合物和/或式（3）所表示的含氟化合物。其中，X代表碘原子或溴原子，Rf1代表含有1至12个碳原子的含氟烷基基团，其中一个或多个氟原子直接与作为原子键的碳原子结合，m为大于或等于1的整数，n为大于或等于0的整数，m+n为大于等于1且小于等于4的整数。
• 19F nuclear magnetic resonance studies of halogenated propanes
  作者：T. Tanuma、K. Ohnishi、H. Okamoto、T. Miyajima、S. Morikawa

  DOI：10.1016/s0022-1139(00)82839-0

  日期：1992.4

  The relationship between 19F chemical shifts in halogenated propanes and their structures are elucidated using MNDO calculations to determine the population of rotamers. The pairs of atoms gauche to a fluorine atom and van der Waals interaction between the two terminal substituents are responsible for the 19F chemical shifts. The differences among chemical shifts in diastereomers are also discussed

  使用MNDO计算确定了旋转异构体的数量，阐明了卤代丙烷中19 F化学位移与其结构之间的关系。氟原子对的原子对和两个末端取代基之间的范德华相互作用是19 F化学位移的原因。还根据分子的构象讨论了非对映异构体中化学位移之间的差异。
• Materials and methods for the conversion of hydrofluorocarbons
  申请人：——

  公开号：US20040127757A1

  公开（公告）日：2004-07-01

  Methods and materials are disclosed for the recovery of valuable hydrofluorocarbons and subsequent conversion to environmentally inert compounds. More specifically methods and materials are provided for recovering hydrofluorocarbons such as HFC-227, HFC-236, HFC-245, HFC-125, HFC-134, HFC-143, HFC-152, HFC-32, HFC-23 and their respective isomers. Processes are provided for converting hydrofluorocarbons such as these to fluoromonomer precursors such as CFC-217, CFC-216, CFC-215, CFC-115, CFC-114, CFC-113, CFC-112, HCFC-22, CFC-12, CFC-13 and their respective isomers. Materials, methods and schemes are provided for the conversion of these fluoromonomer precursors to fluoromonomers such as HFP, PFP, TFP, TFE, and VDF.

  本文披露了一种回收有价值的氢氟碳化合物并将其转化为环境无害化合物的方法和材料。更具体地，提供了回收氢氟碳化合物（如HFC-227、HFC-236、HFC-245、HFC-125、HFC-134、HFC-143、HFC-152、HFC-32、HFC-23及其各自的异构体）的方法和材料。提供了将这些氢氟碳化合物转化为氟单体前体（如CFC-217、CFC-216、CFC-215、CFC-115、CFC-114、CFC-113、CFC-112、HCFC-22、CFC-12、CFC-13及其各自的异构体）的过程。提供了将这些氟单体前体转化为氟单体（如HFP、PFP、TFP、TFE和VDF）的材料、方法和方案。