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

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

Uses

Used in Pharmaceutical Research:
2-(Trifluoromethyl)benzoyl fluoride is used as a reagent for the synthesis of pharmaceutical compounds, leveraging its ability to undergo nucleophilic substitution reactions with amines and alcohols. This property is crucial for the development of new drugs with potential therapeutic applications.
Used in Agrochemicals:
In the agrochemical industry, 2-(Trifluoromethyl)benzoyl fluoride is used as a key intermediate in the synthesis of various agrochemical products. Its reactivity enables the creation of derivatives that can be employed in the development of pesticides and other agricultural chemicals.
Used in Material Science:
2-(Trifluoromethyl)benzoyl fluoride is utilized as a building block in the synthesis of new materials with unique properties. Its incorporation into polymers and other materials can enhance their performance, making it a valuable component in material science research and development.
Safety Considerations:
It is important to handle 2-(Trifluoromethyl)benzoyl fluoride with caution due to its corrosive nature and potential to cause irritation to the skin, eyes, and respiratory system. Proper safety measures should be taken to minimize exposure and ensure the safe use of 2-(Trifluoromethyl)benzoyl fluoride in research and industrial applications.

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 
• 312-94-7 2-trifluoromethylbenzoyl chloride 
• 118-90-1 ortho-methylbenzoic acid 
• 933-88-0 ortho-toluoyl chloride 
• 3199-08-4 1,1,3,3-tetrachloro-1,3-dihydroisobenzofuran 

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)

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.

The Reaction of 3,4,5,6-Tetrahydrophthalic Anhydride with Sulphur Tetrafluoride. A Discovery of Dehydrogenating Properties of SF4

The reaction of 3,4,5,6-tetrahydrophthalic anhydride 1 with sulphur tetrafluoride and hydrogen fluoride was investigated under variable temperatures.At 80 deg C difluorolactone 2 was obtained in almost quantitative yield while at 120-150 deg C a mixture of compound 2, tetrafluoroether 3, acid fluoride 4 and bis(trifluoromethyl)cyclohexene 5 was formed.At higher reaction temperatures dehydrogenation of the cyclohexene ring occurred to give bis(trifluoromethyl)benzene 6 as the main product. sulphur tetrafluoride, fluorination of tetrahydrophthalic anhydride, fluorocyclisation, tetrafluoroethers, dehydrogenation of cyclohexene ring

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.