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Benzonitrile, 4-[(difluoromethyl)thio]-, also known as 4-(Difluoromethylthio)benzonitrile, is an organic compound with the chemical formula C8H5F2NS. It is a colorless to pale yellow liquid with a molecular weight of 191.19 g/mol. Benzonitrile, 4-[(difluoromethyl)thio]- is characterized by the presence of a benzene ring, a nitrile group (-CN), and a difluoromethylthio group (-SCH2CF2). It is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly those containing the difluoromethylthio moiety. Due to its reactivity and potential applications, it is important to handle Benzonitrile, 4-[(difluoromethyl)thio]- with care, following appropriate safety measures.

4837-25-6

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4837-25-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4837-25-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,8,3 and 7 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 4837-25:
(6*4)+(5*8)+(4*3)+(3*7)+(2*2)+(1*5)=106
106 % 10 = 6
So 4837-25-6 is a valid CAS Registry Number.

4837-25-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-((difluoromethyl)thio)benzonitrile

1.2 Other means of identification

Product number -
Other names 4-[(difluoromethyl)thio]benzonitrile

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 -
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More Details:4837-25-6 SDS

4837-25-6Relevant academic research and scientific papers

Visible light-promoted difluoromethylthiolation of aryldiazonium salts

Wang, Wengui,Zhang, Shuxiang,Zhao, Huaiqing,Wang, Shoufeng

, p. 8565 - 8568 (2018/11/27)

Difluoromethylthiolation of aryldiazonium salts under photocatalytic conditions with a shelf-stable, easily prepared and inexpensive reagent, PhSO2SCF2H was described. A variety of difluoromethylthioethers were obtained utilizing aryldiazonium salts containing different functional groups. Aryldiazonium salts with a heteroarene moiety were tolerated. Fluorescence quenching experiments indicated that both oxidative and reductive quenching cycles occurred during this process.

Pd-Catalyzed Difluoromethylthiolation of Aryl Chlorides, Bromides and Triflates

Wu, Jiang,Lu, Changhui,Lu, Long,Shen, Qilong

, p. 1031 - 1034 (2018/09/25)

A highly efficient Pd-catalyzed difluoromethylthiolation of aryl chlorides, bromides and triflates is described. A variety of aryl halides with common functional groups were difluoromethylthiolated in moderate to excellent yields. Furthermore, several nat

Radical Difluororomethylation of Thiols with Difluoromethylphosphonium Triflate under Photoredox Catalysis

Ran, Yang,Lin, Qing-Yu,Xu, Xiu-Hua,Qing, Feng-Ling

, p. 7373 - 7378 (2017/07/26)

A convenient, visible light-induced radical difluoromethylation of aryl-, heteroaryl-, and alkylthiols with difluoromethyltriphenylphosphonium triflate was developed to afford various difluoromethyl thioethers in moderate to excellent yields. The key reaction features include the use of a readily available CF2H radical source, mild reaction conditions, and excellent chemoselective thiol-difluoromethylation.

Palladium-catalyzed difluoromethylthiolation of heteroaryl bromides, iodides, triflates and aryl iodides

Wu, Jiang,Liu, Yafei,Lu, Changhui,Shen, Qilong

, p. 3757 - 3762 (2016/06/09)

A palladium-catalyzed difluoromethylthiolation of heteroaryl halides and triflates under mild conditions was described. A vast range of heteroaryl halides such as pyridyl, quinolinyl, benzothiazolyl, thiophenyl, carbazolyl and pyazolyl halides could be difluoromethylthiolated efficiently, thus providing medicinal chemists with new tools for their search of new lead compounds for drug discovery. Likewise, aryl iodides were difluoromethylthiolated in high yields under a modified reaction condition.

Difluoromethylthiolation reagent, and preparation method and application thereof

-

Paragraph 0112; 0113; 0114; 0115, (2017/07/22)

The invention discloses a difluoromethylthiolation reagent 1, and a preparation method and application thereof. The invention provides application of the difluoromethylthiolation reagent 1 to preparation of a compound containing a difluoromethylthio group. A method 1 or method 2 is adopted for the application. The method 1 comprises a step of subjecting a compound as shown in a formula 2 which is described in the specification and the difluoromethylthiolation reagent 1 to a nucleophilic substitution reaction in an organic solvent in the presence of protective gas, alkali, copper salt and ligand, wherein the alkali is one or more selected from a group consisting of sodium carbonate, lithium carbonate, potassium fluoride, potassium phosphorate and lithium hydroxide monohydrate. The method 1 comprises a step of subjecting a compound as shown in a formula 3 which is described in the specification and the difluoromethylthiolation reagent 1 to a nucleophilic substitution reaction in an organic solvent in the presence of protective gas. The methods provided by the invention can introduce a difluoromethylthio group through a one-step reaction and have the advantages of a wide scope of applicable substrates, mild reaction conditions, a high reaction conversion rate, high yield, high product purity and good industrial production prospects.

Synthesis of difluoromethyl thioethers from difluoromethyl trimethylsilane and organothiocyanates generated in situ

Bayarmagnai, Bilguun,Matheis, Christian,Jouvin, Kvin,Goossen, Lukas J.

supporting information, p. 5753 - 5756 (2015/06/10)

A copper-CF2H complex generated in situ from copper thiocyanate and TMS-CF2H smoothly converts organothiocyanates into valuable difluoromethyl thioethers. This reaction step can be combined with several thiocyanation methods to one-pot protocols, allowing late-stage difluoromethylthiolations of widely available alkyl halides and arenediazonium salts. This strategy enables the introduction of difluoromethylthio groups - a largely unexplored substituent with highly promising properties - into drug-like molecules. A copper-CF2H complex generated in situ from copper thiocyanate and TMS-CF2H smoothly converts organothiocyanates into valuable difluoromethyl thioethers. This reaction step can be combined with several thiocyanation methods to one-pot protocols, allowing late-stage difluoromethylthiolations of widely available alkyl halides and arenediazonium salts.

N-Difluoromethylthiophthalimide: A Shelf-Stable, Electrophilic Reagent for Difluoromethylthiolation

Zhu, Dianhu,Gu, Yang,Lu, Long,Shen, Qilong

supporting information, p. 10547 - 10553 (2015/09/28)

A new, electrophilic difluoromethylthiolating reagent N-difluoromethylthiophthalimide 3 was developed. Reagent 3 can be readily synthesized in four steps from easily available starting materials phthalimide and TMSCF2H. N-difluoromethylthiophthalimide 3 is a powerful electrophilic difluoromethylthiolating reagent that allows the difluoromethylthiolation of a wide range of nucleophiles including aryl/vinyl boronic acids, alkynes, amines, thiols, β-ketoesters, and oxindoles and electron-rich heteroarenes such as indole, pyrrole, 1H-pyrrolo[2,3-b]pyridine, imidazo[1,2-a]pyridine, aminothiazole, isoxazole, and pyrazole under mild conditions.

Copper-promoted sandmeyer difluoromethylthiolation of aryl and heteroaryl diazonium salts

Wu, Jiang,Gu, Yang,Leng, Xuebing,Shen, Qilong

supporting information, p. 7648 - 7652 (2015/06/25)

An efficient copper-promoted difluoromethylthiolation of aryl and heteroaryl diazonium salts is described. The reaction is conducted under mild reaction conditions and various functional groups were compatible. In addition, reactions of heteroaryl diazonium salts such as pyridyl, quinolinyl, benzothiazolyl, thiophenyl, carbazolyl, and pyrazolyl diazonium salts occurred smoothly to afford the medicinally important difluoromethylthiolated heteroarenes. Furthermore, a more practical one-pot direct diazotization and difluoromethylthiolation protocol was developed, and it converts the aniline derivatives into difluoromethylthiolated arenes. The utility of the method is demonstrated by difluoromethylthiolation of a number of natural products and drug molecules. A dose of salt: The title reaction is conducted under mild reaction conditions and various functional groups are compatible. (Hetero)aryl diazonium salts reacted smoothly to afford the medicinally important difluoromethylthiolated (hetero)arenes. A practical one-pot direct diazotization and difluoromethylthiolation protocol was developed for aniline derivatives to generate difluoromethylthiolated arenes.

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