4021-50-5

Basic information

• Product Name: 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE
• Synonyms: 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE;4-TRIFLUOMETHYLTHIO BENZOLDEHYE;4-trifluomethylthio benzoldehyde;4-(Trifluoromethylthio)benzaldehyde 98%;4-(Trifluoromethylthio)benzaldehyde98%;4-(Trifluoromethylthio)benzaldehyde, 90+%;4-((Trifluoromethyl)sulfanyl)benzaldehyde;4-(Trifluoromethylthio)benzaldehyde ,p-(Trifluoromethylthio)benzaldehyde
• CAS NO: 4021-50-5
• Molecular Formula: C₈H₅F₃OS
• Molecular Weight: 206.18
• Product Categories: Aldehydes;C8;Carbonyl Compounds;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Fluorine series
• Mol File: 4021-50-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 29-31 °C(lit.)
• Boiling Point: 219 °C(lit.)
• Flash Point: 212 °F
• Appearance: /
• Density: 1,31 g/cm3
• Vapor Pressure: 0.796mmHg at 25°C
• Refractive Index: n20/D 1.511(lit.)
• Storage Temp.: Room temperature.
• Sensitive: Stench
• BRN: 2328411
• CAS DataBase Reference: 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE(4021-50-5)
• EPA Substance Registry System: 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE(4021-50-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT, AIR SENSITIVE, STENCH
• Hazardous Substances Data: 4021-50-5(Hazardous Substances Data)

Usage

Description

4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE is an organic compound characterized by the presence of a trifluoromethylthio group attached to a benzene ring, with an aldehyde functional group at the 4-position. It is known for its unique chemical properties and potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs with specific therapeutic properties.
Used in Chemical Synthesis:
In the field of organic chemistry, 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE serves as a valuable building block for the creation of more complex molecules. Its reactivity and functional groups make it suitable for use in the synthesis of various organic compounds, including dyes, pigments, and specialty chemicals.
Used in Material Science:
The unique properties of 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE, such as its enthalpy of vaporization at boiling point (492.15K) being 43.130kjoule/mol, make it a candidate for use in the development of new materials with specific thermal and chemical characteristics. These materials could have applications in various industries, including electronics, aerospace, and automotive.
Used in Research and Development:
Due to its unique structure and properties, 4-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE is also used in research and development laboratories to study its chemical behavior and potential applications. This can lead to the discovery of new reactions, compounds, and technologies that can benefit various industries.

InChI:InChI=1/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H

Upstream product

• 21101-63-3 4-(trifluoromethylthio)benzyl bromide 
• 332-26-3 4-[(trifluoromethyl)sulphanyl]benzenecarbonitrile 
• 352-68-1 4-trifluoromethylthiotoluene 
• 87199-17-5 4-formylphenylboronic acid, 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 56456-52-1 (4-((trifluoromethyl)thio)phenyl)methanol 
• 1640084-14-5 (((2-phenylpropan-2-yl)oxy)(trifluoromethyl)sulfane) 
• 3872-23-9 Copper(I) trifluoromethanethiolate 
• 15164-44-0 p-(iodophenyl)carboxaldehyde 
• 1413732-47-4 (2,2'-bipyride-kN₁,kN₁')(1,1,1-trifluoromethanethiolato-kS)-copper 
• 128273-56-3 1-{4-[(trifluoromethyl)sulfanyl]phenyl}methanamine 

Downstream Products

• 21101-66-6 1-(4-((trifluoromethyl)thio)phenyl)ethan-1-ol 
• 21101-67-7 3-(4-trifluoromethylsulfanyl-phenyl)-acrylic acid 
• 67764-94-7 (4-trifluoromethylthiophenyl)-oxirane 
• 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 
• 21101-69-9 1,2-Dibrom-1-<4-trifluormethylmercapto-phenyl>-aethan 
• 775-28-0 1-ethenyl-4-[(trifluoromethyl)thio]benzene 
• 865350-55-6 (E)-3-(4-trifluoromethylsulfanyl-phenyl)-acrylic acid 
• 329317-76-2 [2-(Acetyl-propyl-amino)-2-(4-trifluoromethanesulfonyl-phenyl)-acetylamino]-acetic acid ethyl ester 
• 329317-70-6 N-Benzyl-N-[butylcarbamoyl-(4-trifluoromethanesulfonyl-phenyl)-methyl]-benzamide 
• 329317-75-1 N-Cyclohexyl-N-[(2,6-dimethyl-phenylcarbamoyl)-(4-trifluoromethanesulfonyl-phenyl)-methyl]-benzamide 
• 329317-74-0 [2-(Benzoyl-cyclohexyl-amino)-2-(4-trifluoromethanesulfonyl-phenyl)-acetylamino]-acetic acid ethyl ester 
• 329317-72-8 [2-(Acetyl-cyclopropyl-amino)-2-(4-trifluoromethanesulfonyl-phenyl)-acetylamino]-acetic acid ethyl ester 
• 329317-77-3 [2-(Acetyl-cyclohexyl-amino)-2-(4-trifluoromethanesulfonyl-phenyl)-acetylamino]-acetic acid ethyl ester 

Relevant articles and documents

One-Pot Direct Oxidation of Primary Amines to Carboxylic Acids through Tandem ortho-Naphthoquinone-Catalyzed and TBHP-Promoted Oxidation Sequence

Biomimetic oxidation of primary amines to carboxylic acids has been developed where the copper-containing amine oxidase (CuAO)-like o-NQ-catalyzed aerobic oxidation was combined with the aldehyde dehydrogenase (ALDH)-like TBHP-mediated imine oxidation protocol. Notably, the current tandem oxidation strategy provides a new mechanistic insight into the imine intermediate and the seemingly simple TBHP-mediated oxidation pathways of imines. The developed metal-free amine oxidation protocol allows the use of molecular oxygen and TBHP, safe forms of oxidant that may appeal to the industrial application.

Cu-mediated oxidative trifluoromethylthiolation of arylboronic acids with (bpy)CuSCF3

An efficient trifluoromethylthiolation reaction of arylboronic acids with (bpy)CuSCF3in the presence of oxygen at room temperature is described. This method produces a variety of aryl trifluoromethylthioether derivatives in good to high yield. The mechanism of this trifluoromethylthiolation is discussed as well.

Structure-reactivity relationship of trifluoromethanesulfenates: Discovery of an electrophilic trifluoromethylthiolating reagent

A family of electrophilic trifluoromethanesulfenates was prepared. Structure-reactivity relationship studies showed that the substituted groups on the aryl ring of the trifluoromethylthiolating reagent did not have an obvious influence on their reactivities. A simplified electrophilic trifluoromethylthiolating reagent 1c was then identified that can react with a wide range of nucleophiles such as Grignard reagents, arylboronic acids, alkynes, indoles, β-ketoesters, oxindoles, and sodium sulfinates under mild reaction conditions. A variety of functional groups were tolerated under these conditions.