455-19-6

Basic information

• Product Name: 4-(Trifluoromethyl)benzaldehyde
• Synonyms: A,A,A-TRIFLUORO-P-TOLUALDEHYDE;4-(TRIFLUOROMETHYL)BENZALDEHYDE;4'-TRIFLUOROMETHYL BENZALDEHYDE;P-TRIFLUOROMETHYLBENZALDEHYDE;P-(TRIFLUOROMETHYL)-BENZALDHYDE;PTF-BAD;α,α,α-Trifluoro-p-tolualdehyde ;p-(Trifluoromethyl)benzaldehyde 4-(Trifluoromethyl)benzaldehyde
• CAS NO: 455-19-6
• Molecular Formula: C₈H₅F₃O
• Molecular Weight: 174.12
• EINECS: 207-240-7
• Product Categories: Pharmaceutical Intermediates;Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;Miscellaneous;organofluorine compounds
• Mol File: 455-19-6.mol
• Article Data: 266

Chemical Properties

• Melting Point: 1-2°C
• Boiling Point: 66-67 °C13 mm Hg(lit.)
• Flash Point: 150 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 1.275 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.09mmHg at 25°C
• Refractive Index: n20/D 1.463(lit.)
• Storage Temp.: 2-8°C
• Solubility: 1.5g/l
• Water Solubility: Soluble in water. 1.5 g/L at 20°C
• Sensitive: Air Sensitive
• BRN: 1101680
• CAS DataBase Reference: 4-(Trifluoromethyl)benzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Trifluoromethyl)benzaldehyde(455-19-6)
• EPA Substance Registry System: 4-(Trifluoromethyl)benzaldehyde(455-19-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 10-23
• TSCA: T
• HazardClass: IRRITANT, AIR SENSITIVE
• Hazardous Substances Data: 455-19-6(Hazardous Substances Data)

Usage

Description

4-(Trifluoromethyl)benzaldehyde, also known as 4-(CF3)C6H4CHO, is an organic compound belonging to the family of aromatic aldehydes. It is characterized by the presence of a trifluoromethyl group (-CF3) at the 4-position of the benzene ring and an aldehyde functional group (-CHO) at the 1-position. 4-(Trifluoromethyl)benzaldehyde exhibits clear colorless to yellow liquid properties and is known for its reactivity and versatility in chemical synthesis.

Uses

Used in Pharmaceutical Industry:
4-(Trifluoromethyl)benzaldehyde is used as a key reactant for the synthesis of N,N''-(Arylmethylene)bisamides, which possess cytotoxic activity. These compounds are of significant interest in the development of anticancer agents, targeting various types of cancer cells and exhibiting potential therapeutic benefits in cancer treatment.
The trifluoromethyl group in 4-(Trifluoromethyl)benzaldehyde imparts unique chemical and biological properties to the synthesized compounds, enhancing their overall effectiveness as anticancer agents. The aldehyde functional group allows for further chemical modifications and the formation of a wide range of derivatives with diverse applications in the pharmaceutical industry.

InChI:InChI=1/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H

Upstream product

• 455-18-5 4-CF₃C₆H₄CN 
• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 
• 79-46-9 2-nitropropane 
• 141-52-6 sodium ethanolate 
• 402-49-3 4-bromomethyltrifluoromethylbenzene 
• 98-56-6 4-chlorobenzotrifluoride 
• 68-12-2 N,N-dimethyl-formamide 
• 402-51-7 4-(trifluoromethyl)phenylmagnesium bromide 
• 122-51-0 orthoformic acid triethyl ester 
• 2591-86-8 N-Formylpiperidine 
• 349-95-1 4-(trifluoromethyl)benzylic alcohol 
• 201230-82-2 carbon monoxide 
• 455-13-0 4-Iodobenzotrifluoride 
• 30932-37-7 phenyl(4-(trifluoromethyl)benzyl)sulfane 

Downstream Products

• 34328-31-9 (4-chloro-phenyl)-(4-trifluoromethyl-phenyl)-methanone 
• 2341-32-4 1-methyl-1-nitro-2-<4-(trifluoromethyl)phenyl>ethene 
• 34328-35-3 2,4-Dichlor-4'-trifluormethylbenzophenon 
• 34328-34-2 3,4-Dichlor-4'-trifluormethylbenzophenon 
• 16642-92-5 4-(trifluoromethyl)cinnamic acid 
• 34328-30-8 4-trifluoromethyl-4′-methylbenzophenone 
• 34328-32-0 4-Iod-4'-trifluormethylbenzophenon 
• 34328-38-6 3,4-Dibrom-4'-trifluormethylbenzophenon 
• 34367-37-8 trifluoromethoxy-4 trifluoromethyl-4' benzophenone 
• 34328-39-7 3,4,5-Trichlor-4'-trifluormethylbenzophenon 
• 339566-03-9 4-phenyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-oxazole 
• 57260-61-4 2-thioxo-5-(4-trifluoromethyl-phenyl)-oxazolidin-4-one 
• 42134-71-4 1,2-bis(4-(trifluoromethyl)phenyl)ethane 
• 42134-70-3 (Z)-1,2-bis(4-(trifluoromethyl)phenyl)ethene 

Relevant articles and documents

In alkaline media, Fremy's salt oxidizes alkanols by a hydrogen atom transfer mechanism

In aqueous alkali, Fremy's salt (potassium nitrosodisulfonate dimer), homolyses nearly exclusively to the monomer radical anion, nitrosodisulfonate (NDS). In this media, NDS almost quantitatively oxidizes benzyl alcohol (PhCH2OH) to benzaldehyd

A Metal–Organic Framework as a Multiphoton Excitation Regulator for the Activation of Inert C(sp3)?H Bonds and Oxygen

The activation and oxidization of inert C(sp3)?H bonds into value-added chemicals affords attractively economic and ecological benefits as well as central challenge in modern chemistry. Inspired by the natural enzymatic transformation, herein,

Selective oxidation of alkenes to carbonyls under mild conditions

Herein, a practical and sustainable method for the synthesis of aldehydes, ketones, and carboxylic acids from an inexpensive olefinic feedstock is described. This transformation features very sustainable and mild conditions and utilizes commercially available and inexpensive tetrahydrofuran as the additive, molecular oxygen as the sole oxidant and water as the solvent. A wide range of substituted alkenes were found to be compatible, providing the corresponding carbonyl compounds in moderate-to-good yields. The control experiments demonstrated that a radical mechanism is responsible for the oxidation reaction.