2,4,5-三氯三氟甲苯 | 56148-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4,5-三氯三氟甲苯
• 英文名称: 2,4,5-trichloro-1-(trifluoromethyl)benzene
• 英文别名: 2,4,5-trichlorotrifluoromethylbenzene；2,4,5-trichlorotrifluorotoluene；2,4,5-trichloro trifluoromethyl benzene；4,5-dichloro-2-chlorobenzo-trifluoride；2,4,5-trichlorobenzotrifluoride；1,2,4-Trichloro-5-(trifluoromethyl)benzene
• CAS: 56148-83-5
• 化学式: C₇H₂Cl₃F₃
• 分子量: 249.447
• InChiKey: ICZSSJWAFPMQBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  2,4,5-三氯三氟甲苯 在 硫酸 、 甲基安非他命 作用下， 反应 24.0h， 生成 2,4,5-三氯苯甲酸乙酯
  参考文献：
  名称：

  A new trifluoromethylating agent: synthesis of polychlorinated (trifluoromethyl)benzenes and 1,3-bis(trifluoromethyl)benzenes and conversion into their trichloromethyl counterparts and molecular structure of highly strained polychloro-m-xylenes

  摘要：

  Mixtures of CCl3F and AlCl3 replace CF3 for H in polychlorobenzenes. Thus, by treatment of a solution of the suitable polychlorobenzene in CCl3F with AlCl3, the following compounds can be prepared: pentachloro- (2), 2,3,4,5-tetrachloro- (5), 2,3,4,6-tetrachloro- (8), 2,3,5,6-tetrachloro- (11), 2,3,4-trichloro- (14), 2,4,5-trichloro- (17), and 2,4,6-trichloro-1-(trifluoromethyl)benzene (20), as well as 4,5,6-trichloro- (31) and 2,4,6-trichloro-1,3-bis(trifluoromethyl)benzene (32). The reaction of the above-mentioned trifluoromethylated compounds with AlCl3 in CS2 yields their trichloromethyl counterparts: 3, 6, 9, 12, 15, 18, 21, 34, and 36. The chlorination of 32 or 36 by means of Silberrad's reagent (SO2Cl2, AlCl3, and S2Cl2) affords perchloro-m-xylene (38), a new highly strained chlorocarbon whose synthesis was attempted repeatedly in the past. 9, 15, 17, and 21, when treated with oleum and then with water, are converted into 2,3,4,6-tetrachloro- (22), 2,3,4-trichloro- (23), 2,4,5-trichloro- (24), and 2,4,6-trichlorobenzoic acid (25), respectively; under similar treatment, 34, 36, and 38 give 4,5,6-trichloro- (33), 2,4,5-trichloro- (35), and tetrachloroisophthalic acid (39), respectively. The formation of the (trifluoromethyl)benzenes is discussed, and in this connection it has been found that CCl3F solutions of 3 and 18 in the the presence of AlCl3 give back 2 and 17, respectively. Molecular structures of highly strained m-xylenes 36 and 38, as well as that of the much less strained 34, ascertained by X-ray analysis, are reported and commented. IR, UV, and NMR spectral data of the compounds synthesized are presented. The interesting UV spectrum of 21 is discussed.

  DOI：

  10.1021/jo00001a022
• 作为产物：
  描述：

  2,4,5-三氯-1-(三氯甲基)苯 生成 2,4,5-三氯三氟甲苯
  参考文献：
  名称：

  CASTANER, J.;RIERA, J.;CARILLA, J.;ROBERT, A.;MOLINS, E.;MIRAVITLLES, C., J. ORG. CHEM., 56,(1991) N, C. 103-110

  摘要：

  DOI：

文献信息

• Preparation Method of 2, 6-Dichlor-4-Trifluoromethyl Aniline
  申请人：Li Huiyue

  公开号：US20090240083A1

  公开（公告）日：2009-09-24

  This invention is involved with a preparation method of 2,6-dichlor-4-trifluoromethyl aniline. With this process, 4-chlorotrifluoromethyl benzene is used as the starting material and subjected to halogenation reaction and ammoniation reaction and through separation of reaction products the desired 2,6-dichlor-4-trifluoromethyl aniline is obtained. In addition, ammonia is recovered from the surplus ammonia water in ammoniation reaction. This applied invention in characterized by simple process, cheap and easy-available raw materials, high reaction yield and friendly environment.

  这项发明涉及一种2,6-二氯-4-三氟甲基苯胺的制备方法。该过程使用4-氯三氟甲基苯作为起始物质，并进行卤化反应和氨化反应，通过分离反应产物获得所需的2,6-二氯-4-三氟甲基苯胺。此外，还从氨化反应中剩余的氨水中回收氨。该应用发明的特点是工艺简单，原材料便宜易得，反应产率高，环保友好。
• 一种生产3,4,5-三氯三氟甲苯的副产物2,4, 5-三氯三氟甲苯的综合利用方法
  申请人：浙江巍华化工有限公司

  公开号：CN106866426B

  公开（公告）日：2018-08-10

  一种生产3,4,5‑三氯三氟甲苯的副产物2,4,5‑三氯三氟甲苯的综合利用方法，属于化学合成领域。以2,4,5‑三氟甲苯为原料，经氨解反应、催化加氢脱氯反应、氯化反应合成了2,6‑二氯‑4‑三氟甲基苯胺。上述综合利用方法，将无用的副产品转化成经济价值较高的产品，总收率达61.7%，纯度达到99.5%以上，杂质种类少，产品质量和性能稳定。
• Ushakov, A. A.; Alikhanov, P. P.; Motsarev, G. V., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 1993 - 1996
  作者：Ushakov, A. A.、Alikhanov, P. P.、Motsarev, G. V.、Kalinachenko, V. R.、Kuznetsova, G. N.、Kolbasov, V. I.

  DOI：——

  日期：——
• Alikhanov, P. P.; Ushakov, A. A.; Kuznetsova, G. N., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, p. 734 - 740
  作者：Alikhanov, P. P.、Ushakov, A. A.、Kuznetsova, G. N.、Kalinachenko, V. R.、Motsarev, G. V.

  DOI：——

  日期：——
• Process for the production of 4-amino-3,5-dichlorobenzotrifluoride with high purity commercial products being obtained in parallel
  申请人：FINCHIMICA S.p.A.

  公开号：EP1528052B1

  公开（公告）日：2013-07-31