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

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.

Synthesis method of o-trifluoromethyl methyl benzoate, m-trifluoromethyl methyl benzoate and p-trifluoromethyl methyl benzoate

The invention provides a synthesis method of o-trifluoromethyl methyl benzoate, m-trifluoromethyl methyl benzoate and p-trifluoromethyl methyl benzoate. The synthesis method comprises the following steps: taking methyl benzoic acid as a raw material, carrying out acylating chlorination to obtain methylbenzoyl chloride, carrying out side-chain chlorination to obtain trichloromethyl benzoyl chloride, carrying out fluorination substitution to obtain trifluoromethyl benzoyl fluoride, and carrying out esterification to obtain a final product which is trifluoromethyl methyl benzoate. The synthesis method can be used for producing the o-trifluoromethyl methyl benzoate, the m-trifluoromethyl methyl benzoate and the p-trifluoromethyl methyl benzoate, is easily available in raw material, mild in reaction mechanism, high in reaction yield, few in reaction by-products, low in yield of three wastes and easy in treatment of three wastes, and is suitable for industrial production.

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.