332-26-3

Basic information

• Product Name: 4-(Trifluoromethylthio)benzonitrile
• Synonyms: P-CYANOPHENYL TRIFLUOROMETHYL SULFIDE;4-(TRIFLUOROMETHYLTHIO)BENZONITRILE;4-TRIFLUOMETHYLTHIO BENZONITRILE;4-(Trifluoromethylthio)benzonitrile 98%;4-(Trifluoromethylthio)benzonitrile98%;4-[(trifluoroMethyl)sulfanyl]benzonitrile;4-[(Trifluoromethyl)sulphanyl]benzonitrile, 4-Cyanophenyl trifluoromethyl sulphide;4-(Trifluoromethylthio)benzonitrile ,p-(Trifluoromethylthio)benzonitrile
• CAS NO: 332-26-3
• Molecular Formula: C₈H₄F₃NS
• Molecular Weight: 203.18
• Product Categories: Aromatic Nitriles;Building Blocks;C8 to C9;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks
• Mol File: 332-26-3.mol
• Article Data: 32

Chemical Properties

• Melting Point: 39-43 °C(lit.)
• Boiling Point: 187.643 °C at 760 mmHg
• Flash Point: 67.285 °C
• Appearance: /
• Density: 1.387 g/cm³
• Vapor Pressure: 0.29mmHg at 25°C
• Refractive Index: 1.535
• Sensitive: Stench
• CAS DataBase Reference: 4-(Trifluoromethylthio)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Trifluoromethylthio)benzonitrile(332-26-3)
• EPA Substance Registry System: 4-(Trifluoromethylthio)benzonitrile(332-26-3)

Safety Data

• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• WGK Germany: 3
• Hazardous Substances Data: 332-26-3(Hazardous Substances Data)

Usage

General Description

4-(Trifluoromethylthio)benzonitrile is a chemical compound with the molecular formula C8H4F3NS, and it belongs to the organofluorine class of compounds. It's an aromatic compound that contains a trifluoromethylthio functional group attached to a benzonitrile ring. This chemical is typically used in research settings, often acting as a reagent or an intermediate in the synthesis of more complex molecules. It is rarely found naturally and is typically synthesized in a lab. As with many chemicals, it must be handled with care due to potential risks associated with exposure or ingestion.

InChI:InChI=1/C8H8BrF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2

Upstream product

• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 126747-14-6 4-cyanophenylboronic acid 
• 3058-39-7 4-iodobenzonitrile 
• 1413732-47-4 (2,2'-bipyride-kN₁,kN₁')(1,1,1-trifluoromethanethiolato-kS)-copper 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 2252-32-6 4-cyanophenyldiazonium tetrafluoroborate 
• 873-74-5 4-Aminobenzonitrile 
• 2314-97-8 iodotrifluoromethane 
• 36801-01-1 4-cyanobenzenethiol 
• 128273-56-3 1-{4-[(trifluoromethyl)sulfanyl]phenyl}methanamine 
• 623-03-0 4-Cyanochlorobenzene 
• 623-00-7 4-bromobenzenecarbonitrile 
• 3872-23-9 Copper(I) trifluoromethanethiolate 
• 811-68-7 silver(I) trifluoromethanethiolate 

Downstream Products

• 330-17-6 4-(trifluoromethylthio)benzoic acid 
• 312-21-0 4-[(trifluoromethyl)sulfonyl] benzonitrile 
• 131786-66-8 2-<4-<(trifluoromethyl)thio>phenyl>-4-hydroxy-5-methylthiazole 
• 4021-50-5 4-(trifluoromethylthio)benzaldehyde 
• 183801-35-6 (2E,4E)-5-(4-Trifluoromethylsulfanyl-phenyl)-penta-2,4-dienal 
• 1027083-94-8 (2E,4E)-5-(4-Trifluoromethylsulfanyl-phenyl)-penta-2,4-dien-1-ol 
• 1085453-81-1 N'-hydroxy-4-[(trifluoromethyl)sulphanyl]benzenecarboximidamide 
• 1347581-78-5 5-[1-(3-Bromobenzyl)-5-methyl-1H-pyrazol-3-yl]-3-{4-[(trifluoromethyl)sulphanyl]phenyl}-1,2,4-oxadiazole 
• 1346690-03-6 5-(5-Methyl-1H-pyrazol-3-yl)-3-{4-[(trifluoromethyl)sulphanyl]phenyl}-1,2,4-oxadiazole 
• 1347581-55-8 1-(3-{[5-Methyl-3-(3-{4-[(trifluoromethyl)sulphanyl]phenyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]methyl}phenyl)piperidin-4-ol 

Relevant articles and documents

A “universal” catalyst for aerobic oxidations to synthesize (hetero)aromatic aldehydes, ketones, esters, acids, nitriles, and amides

Functionalized (hetero)aromatic compounds are indispensable chemicals widely used in basic and applied sciences. Among these, especially aromatic aldehydes, ketones, carboxylic acids, esters, nitriles, and amides represent valuable fine and bulk chemicals, which are used in chemical, pharmaceutical, agrochemical, and material industries. For their synthesis, catalytic aerobic oxidation of alcohols constitutes a green, sustainable, and cost-effective process, which should ideally make use of active and selective 3D metals. Here, we report the preparation of graphitic layers encapsulated in Co-nanoparticles by pyrolysis of cobalt-piperazine-tartaric acid complex on carbon as a most general oxidation catalyst. This unique material allows for the synthesis of simple, functionalized, and structurally diverse (hetero)aromatic aldehydes, ketones, carboxylic acids, esters, nitriles, and amides from alcohols in excellent yields in the presence of air.

Transition-Metal-Free Synthesis of Aryl Trifluoromethyl Thioethers through Indirect Trifluoromethylthiolation of Sodium Arylsulfinate with TMSCF3

Herein, we report an indirect trifluoromethylthiolation of sodium arylsulfinates. This transition-metal-free reaction significantly provides an environmentally friendly and practical synthetic method for aryl trifluoromethyl thioethers using commercial Ruppert-Prakash reagent TMSCF3. This approach is also a potential alternative to the current industrial production method owing to facile substrates, excellent functional group compatibility, and operational simplicity.

Method for synthesizing aromatic trifluoromethylthio compound

The invention discloses a method for synthesizing an aromatic trifluoromethylthio compound. The method comprises the following steps: reacting sodium trifluoromethanesulfinate with Chlorodiphenyl phosphine at room temperature; after reacting for a period of time, sequentially adding an aniline compound and tert-butyl nitrite, fully reacting at 70 +/-5 DEG C by taking CuSO4 as a catalyst and acetonitrile as a solvent, cooling to room temperature after the reaction is finished, extracting, carrying out reduced pressure distillation, and carrying out column chromatography separation and purification on the reaction mixture to obtain the aromatic trifluoromethylthio compound. The method is simple and safe in process operation and high in reaction conversion rate, the used raw materials are economical and practical, few three wastes are generated, and no extra organic solvent needs to be treated.