312-96-9

Basic information

• Product Name: 2-(trifluoromethyl)benzoyl fluoride
• Synonyms: 2-(trifluoromethyl)benzoyl fluoride
• CAS NO: 312-96-9
• Molecular Formula: C₈H₄F₄O
• Molecular Weight: 192.1103728
• EINECS: 206-235-7
• Mol File: 312-96-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 187.3°Cat760mmHg
• Flash Point: 68.8°C
• Appearance: /
• Density: 1.339g/cm³
• Vapor Pressure: 0.634mmHg at 25°C
• Refractive Index: 1.426
• CAS DataBase Reference: 2-(trifluoromethyl)benzoyl fluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(trifluoromethyl)benzoyl fluoride(312-96-9)
• EPA Substance Registry System: 2-(trifluoromethyl)benzoyl fluoride(312-96-9)

Safety Data

• Hazardous Substances Data: 312-96-9(Hazardous Substances Data)

Usage

General Description

2-(Trifluoromethyl)benzoyl fluoride is a chemical compound with the molecular formula C8H4F3O2. It is a colorless to pale yellow liquid with a pungent odor, and it is commonly used as a reagent in organic synthesis and chemical research. 2-(Trifluoromethyl)benzoyl fluoride is a fluorinated benzoyl fluoride, containing a trifluoromethyl group attached to the benzoyl ring. It is highly reactive and can undergo nucleophilic substitution reactions with nucleophiles such as amines and alcohols, leading to the formation of various derivatives. 2-(Trifluoromethyl)benzoyl fluoride has applications in pharmaceutical research, agrochemicals, and material science due to its unique reactivity and ability to introduce the trifluoromethyl group into organic molecules. However, it is important to handle this compound with caution as it is corrosive and can cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C8H4F4O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H

Upstream product

• 76716-56-8 α,α,α-trichloro-o-toluic chloride 
• 445-69-2 phthaloyl fluoride 
• 88-99-3 benzene-1,2-dicarboxylic acid 
• 136918-14-4 phthalimide 
• 2426-02-0 3,4,5,6-Tetrahydrophthalic anhydride 
• 3199-08-4 1,1,3,3-tetrachloro-1,3-dihydroisobenzofuran 
• 933-88-0 ortho-toluoyl chloride 
• 118-90-1 ortho-methylbenzoic acid 
• 312-94-7 2-trifluoromethylbenzoyl chloride 

Downstream Products

• 433-97-6 2-trifluoromethylbenzoic acid 
• 1073339-21-5 4,4,5,5-tetramethyl-2-(2-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane 
• 147344-86-3 1-(phenylethynyl)-2-(trifluoromethyl)benzene 
• 344-96-7 2-trifluoromethyl-benzoic acid methyl ester 

Relevant articles and documents

Nickel-catalysed decarbonylative borylation of aroyl fluorides

The first Ni(cod)2/PPh3 catalyst system has been established for decarbonylative borylation of aroyl fluorides with bis(pinacolato)diboron. A wide range of functional groups in the substrates were well tolerated. The ease of access of the starting aroyl fluorides indicates that these results might become an alternative to the existing decarbonylation events.

A O-between the - trifluoromethyl benzoic acid to synthetic method (by machine translation)

The present invention provides a O-between the - trifluoromethyl benzoic acid to the synthesis method, the method comprises the following steps: (1) between adjacent to methyl benzoic acid acylated preparation between neighbour methyl benzoyl chloride; (2) between the adjacent methyl benzoyl chloride to chlorine light between neighbour trichloromethyl benzoyl chloride is obtained; (3) adjacent to the trichloromethyl benzoyl chloride fluoride obtained between between neighbour trifluoromethyl methyl benzoyle fluoride; (4) adjacent to the trifluoromethyl benzoyle fluoride hydrolysis between the final product is obtained between neighbour trifluoromethyl methyl benzoic acid. The method of the invention cheap raw material, the product yield is high, the process is simple, is favorable for industrial production. (by machine translation)

Process for producing α, α, α-trifluoro-o-toluic fluoride

α,α,α-trifluoro-o-toluic fluoride is produced in good yield and high purity by reacting anhydrous hydrogen fluoride with 1,1,3,3-tetrachloro-1,3-dihydroisobenzofuran or a mixture of α,α,α-trichloro-o-toluic chloride therewith, the mixture being preferably produced by sufficiently photochlorinating o-toluic chloride in mild conditions.