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4-Fluoro-3-(trifluoromethyl)benzonitrile is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

67515-59-7

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67515-59-7 Usage

Chemical Properties

Yellow crystal

Uses

It finds it uses as a pharmaceutical intermediate.

Check Digit Verification of cas no

The CAS Registry Mumber 67515-59-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,7,5,1 and 5 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 67515-59:
(7*6)+(6*7)+(5*5)+(4*1)+(3*5)+(2*5)+(1*9)=147
147 % 10 = 7
So 67515-59-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H3F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H

67515-59-7 Well-known Company Product Price

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

  • (B20256)  4-Fluoro-3-(trifluoromethyl)benzonitrile, 98+%   

  • 67515-59-7

  • 1g

  • 233.0CNY

  • Detail
  • Alfa Aesar

  • (B20256)  4-Fluoro-3-(trifluoromethyl)benzonitrile, 98+%   

  • 67515-59-7

  • 5g

  • 833.0CNY

  • Detail
  • Alfa Aesar

  • (B20256)  4-Fluoro-3-(trifluoromethyl)benzonitrile, 98+%   

  • 67515-59-7

  • 25g

  • 3408.0CNY

  • Detail

67515-59-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Fluoro-3-(trifluoromethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names 4-fluoro-3-(trifluoromethyl)benzenecarbonitrile

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:67515-59-7 SDS

67515-59-7Relevant academic research and scientific papers

Palladium-Catalyzed Cyanation under Mild Conditions: A Case Study to Discover Appropriate Substrates among Halides and Pseudohalides

Rajendra, Merla Arjuna,Sunil,Sajith, Ayyiliath Meleveetil,Joy, Muthipeedika Nibin,Bakulev, Vasiliy A.,Haridas, Karickal Raman

supporting information, p. 1629 - 1633 (2020/09/15)

A case study has been effectively carried out to identify a suitable substrate among halides and pseudohalides for the palladium-catalyzed cyanation reactions under mild conditions. Among the various substrates considered for evaluation, aryl pentafluorobenzenesulfonates and nonaflates were identified to be the best substrates when compared to corresponding halides and pseudohalides. The substoichiometric use of nontoxic, environmentally benign potassium hexacyanoferrate as a cyanide source and exceptionally milder conditions further highlights the significance of the protocol developed. A wide range of electronically biased and sterically challenging substrates provided the corresponding the nitriles in good to excellent yields.

Rhodium-catalyzed transformation of heteroaryl aryl ethers into heteroaryl fluorides

Arisawa, Mieko,Tanii, Saori,Tazawa, Takeru,Yamaguchi, Masahiko

supporting information, p. 11390 - 11393 (2016/09/23)

A rhodium complex catalyzed the conversion of the C-O bond of heteroaryl aryl ethers to the C-F bond. The reaction of (4-chlorophenylthio)pentafluorobenzene with heteroaryl aryl ethers provided heteroaryl fluorides and heteroaryl (4-chlorophenylthio)tetrafluorophenyl ethers; this involved the cleavage of a single heteroaryl C-O bond under equilibrium conditions. The reaction of heteroaryl aryl ethers with 2-fluorobenzothiazole in which two heteroaryl and aryl C-O bonds were cleaved provided heteroaryl fluorides and aryl fluorides. The reactions were applicable to five-membered and six-membered heteroaryl aryl ethers and also to diaryl ethers possessing one or two electron-withdrawing groups.

Palladium-Catalyzed Trifluoromethylation of (Hetero)Arenes with CF3Br

Natte, Kishore,Jagadeesh, Rajenahally V.,He, Lin,Rabeah, Jabor,Chen, Jianbin,Taeschler, Christoph,Ellinger, Stefan,Zaragoza, Florencio,Neumann, Helfried,Brückner, Angelika,Beller, Matthias

supporting information, p. 2782 - 2786 (2016/02/27)

The CF3 group is an omnipresent motif found in many pharmaceuticals, agrochemicals, catalysts, materials, and industrial chemicals. Despite well-established trifluoromethylation methodologies, the straightforward and selective introduction of such groups into (hetero)arenes using available and less expensive sources is still a major challenge. In this regard, the selective synthesis of various trifluoromethyl-substituted (hetero)arenes by palladium-catalyzed C-H functionalization is herein reported. This novel methodology proceeds under comparably mild reaction conditions with good regio- and chemoselectivity. As examples, trifluoromethylations of biologically important molecules, such as melatonin, theophylline, caffeine, and pentoxifylline, are showcased.

Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent

Shi, Guangfa,Shao, Changdong,Pan, Shulei,Yu, Jingxun,Zhang, Yanghui

supporting information, p. 38 - 41 (2015/07/28)

Direct trifluoromethylation of arenes using TFA as the trifluoromethylating reagent was achieved with Ag as the catalyst. This reaction not only provides a new protocol for aryl C-H trifluoromethylation, but the generation of CF3· from TFA may prove useful in other contexts and could potentially be extended to other trifluoromethylation reactions. (Chemical Equation Presented).

Synthesis of 3-trifluoromethyl-4-halobenzonitriles

Yonezawa, Noriyuki,Hino, Tetsuo,Namie, Tsutomu,Katakai, Ryoichi

, p. 1575 - 1578 (2007/10/03)

The practical synthetic method for a series of substantially novel fluorine-containing polyfunctional aromatic compounds, 3-trifluoromethyl-4-halobenzonitriles [halo = Cl, Br, and F], was established by using copper-cyano complexes as effective Sandmeyer cyanating reagents.

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