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64248-63-1

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64248-63-1 Usage

Chemical Properties

white crystals

General Description

The vibrational wavenumbers, geometry and various thermodynamic parameters were studied for 3,5-difluorobenzonitrile.

Check Digit Verification of cas no

The CAS Registry Mumber 64248-63-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,4,2,4 and 8 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 64248-63:
(7*6)+(6*4)+(5*2)+(4*4)+(3*8)+(2*6)+(1*3)=131
131 % 10 = 1
So 64248-63-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

64248-63-1 Well-known Company Product Price

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  • Alfa Aesar

  • (B21347)  3,5-Difluorobenzonitrile, 99%   

  • 64248-63-1

  • 5g

  • 231.0CNY

  • Detail
  • Alfa Aesar

  • (B21347)  3,5-Difluorobenzonitrile, 99%   

  • 64248-63-1

  • 25g

  • 931.0CNY

  • Detail

64248-63-1SDS

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 3,5-Difluorobenzonitrile

1.2 Other means of identification

Product number -
Other names 3,5-Difluorobenzonit

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:64248-63-1 SDS

64248-63-1Relevant articles and documents

Diazaphospholene-Catalyzed Hydrodefluorination of Polyfluoroarenes with Phenylsilane via Concerted Nucleophilic Aromatic Substitution

Cheng, Jin-Pei,Yang, Jin-Dong,Zhang, Jingjing,Zhao, Xiao

supporting information, (2022/01/03)

The metal-free catalytic C-F bond activation of polyfluoroarenes was achieved with diazaphospholene as the catalyst and phenylsilane as the terminal reductant. Density functional theory calculations suggested a concerted nucleophilic aromatic substitution mechanism.

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.

Solvent-Free Aerobic Oxidation of Alcohols to Nitriles Catalyzed by Copper Iodide in Combination with a Quaternary Ammonium Modified TEMPO

Zhang, Yuecheng,Huang, Rong,Gao, Baosheng,Zhao, Jiquan

, p. 220 - 228 (2016/02/23)

A catalytic system consisting of N,N-dimethyl-(4-(2,2,6,6-tetramethyl-1-oxyl-4-piperidoxyl)butyl)dodecyl ammonium bromide (TEMPO-Q), CuI and 2,2′-bipyridine was established. This catalytic system (CuI/bpy/TEMPO-Q) showed high activity and good to excellent selectivity in the oxidative conversion of various alcohols to the corresponding nitriles with molecular oxygen as terminal oxidant and aqueous ammonia as nitrogen source under solvent-free conditions. Besides, the catalytic system also offers the advantages of simplified workup procedure. This protocol thus represents a greener pathway for the synthesis of nitriles from alcohols. Graphical Abstract: TEMPO-Q, a compound with both a TEMPO and a quaternary ammonium moieties, in combination with copper iodide and 2,2′-bipyridine as a catalytic system performed well in the oxidation of alcohols to nitriles with molecular oxygen as terminal oxidant in aqueous ammonia under solvent-free conditions. The catalytic system not only offers the advantages of simplified workup procedure, but also has high activity and selectivity due to the phase transfer catalysis of TEMPO-Q[Figure not available: see fulltext.]

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