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445-03-4

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445-03-4 Usage

Chemical Properties

Clear yellow liquid

Uses

Different sources of media describe the Uses of 445-03-4 differently. You can refer to the following data:
1. 4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol.
2. 2-Amino-5-chlorobenzotrifluoride is a biologically active compound and useful building block. It can be transformed into a variety of valuable fluorine-containing molecules and heterocyclic compounds.

Preparation

Preparation?of?the?chromophore : 4-Chloro-2-(trifluoromethyl)benzenamme?and 4-Chloro-1-nitro-2-(trifluoromethyl)benzene? reduction.

General Description

Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied.

Check Digit Verification of cas no

The CAS Registry Mumber 445-03-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,4 and 5 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 445-03:
(5*4)+(4*4)+(3*5)+(2*0)+(1*3)=54
54 % 10 = 4
So 445-03-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3

445-03-4 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (B21755)  4-Chloro-2-(trifluoromethyl)aniline, 97%   

  • 445-03-4

  • 25g

  • 400.0CNY

  • Detail
  • Alfa Aesar

  • (B21755)  4-Chloro-2-(trifluoromethyl)aniline, 97%   

  • 445-03-4

  • 100g

  • 1016.0CNY

  • Detail
  • Alfa Aesar

  • (B21755)  4-Chloro-2-(trifluoromethyl)aniline, 97%   

  • 445-03-4

  • 500g

  • 3987.0CNY

  • Detail

445-03-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Amino-5-chlorobenzotrifluoride

1.2 Other means of identification

Product number -
Other names Scarlet Salt NVD

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:445-03-4 SDS

445-03-4Relevant articles and documents

Mechanistic study of visible light-driven CdS or g-C3N4-catalyzed C–H direct trifluoromethylation of (hetero)arenes using CF3SO2Na as the trifluoromethyl source

Fu, Xianzhi,Gao, Li,Liu, Ming,Lu, Chenggang,Ma, Xiongfeng,Qin, Nanfang,Qiu, Wenzhao,Sa, Rongjian,Wang, Lele,Wei, Yingcong,Xu, Chunwang,Yuan, Rusheng,Zha, Wenying

, p. 533 - 543 (2020)

The mild and sustainable methods for C–H direct trifluoromethylation of (hetero)arenes without any base or strong oxidants are in extremely high demand. Here, we report that the photo-generated electron-hole pairs of classical semiconductors (CdS or g-C3N4) under visible light excitation are effective to drive C–H trifluoromethylation of (hetero)arenes with stable and inexpensive CF3SO2Na as the trifluoromethyl (TFM) source via radical pathway. Either CdS or g-C3N4 propagated reaction can efficiently transform CF3SO2Na to [rad]CF3 radical and further afford the desired benzotrifluoride derivatives in moderate to good yields. After visible light initiated photocatalytic process, the key elements (such as F, S and C) derived from the starting TFM source of CF3SO2Na exhibited differential chemical forms as compared to those in other oxidative reactions. The photogenerated electron was trapped by chemisorbed O2 on photocatalysts to form superoxide radical anion (O2[rad]?) which will further attack [rad]CF3 radical with the generation of inorganic product F? and CO2. This resulted in a low utilization efficiency of [rad]CF3 (3SO2Na served as the starting materials in inert atmosphere, the photoexcited electrons can be directed to reduce the nitro group to amino group rather than being trapped by O2. Meanwhile, the photogenerated holes oxidize SO2CF3? into [rad]CF3. Both the photogenerated electrons and holes were engaged in reductive and oxidative paths, respectively. The desired product, trifluoromethylated aniline, was obtained successfully via one-pot free-radical synthesis.

Preparation method of trifluoromethylated aniline compound

-

Paragraph 0069-0077, (2020/12/30)

The invention provides a preparation method of a trifluoromethylated aniline compound shown in a formula (IIA) or a formula (IIB). The method comprises the following steps: by taking a mixed solvent of DMF and water in a volume ratio of 1:(1-4) as a reaction medium, adding an aniline compound shown in a formula (IA) or a formula (IB), 1-(trifluoromethyl)-1,2-benziodoxol-3-(1H)-one and a photocatalyst, and reacting for 2-6 hours at room temperature under blue light; and carrying out post-treatment on the obtained reaction mixture to obtain the trifluoromethylated aniline compound as shown in the formula (IIA) or the formula (IIB). According to the method, by the photocatalyst, the reaction is driven to be carried out under the irradiation of visible light, the reaction conditions are mild,the site selectivity is high, the reaction is efficient, green and environment-friendly, the reaction yield can reach 90%, and the product can be prepared by only one step.

Coordinating Activation Strategy-Induced Selective C?H Trifluoromethylation of Anilines

Xu, Jun,Cheng, Ke,Shen, Chao,Bai, Renren,Xie, Yuanyuan,Zhang, Pengfei

, p. 965 - 970 (2018/02/12)

A simple protocol for the synthesis of 2-(trifluoromethyl)aniline derivatives through a coordinating activation strategy was developed. The reaction showed good reactivity and gave the target products in moderate to good yields. Pleasingly, the directing group could be recovered in excellent yield. Furthermore, this strategy allowed efficient access to the synthesis of floctafenine. A single-electron-transfer mechanism was proposed to be responsible for this trifluoromethylation reaction.

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