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64248-62-0

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64248-62-0 Usage

Chemical Properties

white to light yellow crystal powder

Uses

3,4-Difluorobenzonitrile has been used in the preparation of:fluorophenoxy herbicidesfluorine substituted benzyl amides

Preparation

The preparation of?3,4-Difluorobenzonitrile is as follows:To the dry reactor was added 289.6 kg (1.843 kmoles) of 3,4-difluorobenzamide and 800 kg of dichloroethane solution, 241.2 kg (2.02 kmoles) of dichlorosulfoxide and catalyst DMF I.5 And the reaction was carried out at 50 ° C for 5 hours with stirring. After the reaction was complete, the reaction solution was poured into ice water with stirring and the mixture was separated to obtain a crude product having a qualitative content of 96% of 3,4-difluorobenzonitrile 259.1 kg (1.788 kmoles) in 97% yield. The crude product was distilled to give a qualitative content of 99% of 3,4,8-difluorobenzonitrile 248.6 kg (1.77 kmoles) and a distillation yield of 99%.

Check Digit Verification of cas no

The CAS Registry Mumber 64248-62-0 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 2 respectively.
Calculate Digit Verification of CAS Registry Number 64248-62:
(7*6)+(6*4)+(5*2)+(4*4)+(3*8)+(2*6)+(1*2)=130
130 % 10 = 0
So 64248-62-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H

64248-62-0SDS

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 3,4-Difluorobenzonitrile

1.2 Other means of identification

Product number -
Other names 4-fluoro-3-fluorobenzonitrile

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:64248-62-0 SDS

64248-62-0Relevant articles and documents

One pot synthesis of aryl nitriles from aromatic aldehydes in a water environment

Chen, Qingqing,Han, Hongwei,Lin, Hongyan,Ma, Xiaopeng,Qi, Jinliang,Wang, Xiaoming,Yang, Yonghua,Zhou, Ziling

, p. 24232 - 24237 (2021/07/29)

In this study, we found a green method to obtain aryl nitriles from aromatic aldehyde in water. This simple process was modified from a conventional method. Compared with those approaches, we used water as the solvent instead of harmful chemical reagents. In this one-pot conversion, we got twenty-five aryl nitriles conveniently with pollution to the environment being minimized. Furthermore, we confirmed the reaction mechanism by capturing the intermediates, aldoximes.

3,4- Difluorobenzonitrile process production method (by machine translation)

-

Paragraph 0034-0038, (2020/02/27)

The invention relates to the field, of compound production technologies, in particular to 3,4 - difluoro-benzonitrile, obtained by centrifugally separating :S1: by adding raw material :S2: and removing toluene :S3: from the catalyst :S4: to collect the crude 3,4 - difluoro-cyanobenzene.S5: The reaction rate :S6: can be effectively reduced by controlling the presence time 3,4 - of the reaction depth. difluorobenzonitrile, by controlling the reaction depth of the system. N - The method (89.0 - 89.5%), comprises the following steps) - 1,3 - and, effectively reducing the coking, phenomenon, of the system at a high, temperature. The product. yield, is effectively reduced (3,4 . (by machine translation)

Palladium-Catalyzed Late-Stage Direct Arene Cyanation

Zhao, Da,Xu, Peng,Ritter, Tobias

supporting information, p. 97 - 107 (2019/01/21)

Methods for direct benzonitrile synthesis are sparse, despite the versatility of cyano groups in organic synthesis and the importance of benzonitriles for the dye, agrochemical, and pharmaceutical industries. We report the first general late-stage aryl C–H cyanation with broad substrate scope and functional-group tolerance. The reaction is enabled by a dual-ligand combination of quinoxaline and an amino acid-derived ligand. The method is applicable to direct cyanation of several marketed small-molecule drugs, common pharmacophores, and organic dyes. Benzonitriles are some of the most versatile building blocks for organic synthesis, in particular in the pharmaceutical industry, but general methods to make them by direct C–H functionalization are unknown. In this issue of Chem, Ritter and coworkers describe a late-stage aryl C–H cyanation with broad substrate scope and functional-group tolerance, enabled by a palladium-dual-ligand catalyst system. The reaction may serve for the late-stage modification of drug candidates. Aryl nitriles constitute an important class of organic compounds that are widely found in natural products, pharmaceuticals, agricultural chemicals, dyes, and materials. Moreover, nitriles are versatile building blocks to access numerous other important molecular structure groups. However, no general method for direct aromatic C–H cyanation is known. All approaches to date require either an appropriate directing group or reactive electron-rich substrates, such as indoles, which limit their synthetic applications. Here we describe an undirected, palladium-catalyzed late-stage aryl C–H cyanation reaction for the synthesis of complex aryl nitriles that would otherwise be more challenging to produce. The wide substrate scope and good functional-group tolerance of this reaction provide direct and quick access to structural diversity for pharmaceutical and agrochemical development.

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