368-94-5

Basic information

• Product Name: 4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE
• Synonyms: 4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE;TIMTEC-BB SBB001788;4-(trifluoromethyl)-benzoylfluorid;4-(Trifluoromethyl)benzoy fluoride;4-(Trifluoromethyl)benzoic acid fluoride;4-(triflouromethyl)benzoyl Fluoride
• CAS NO: 368-94-5
• Molecular Formula: C₈H₄F₄O
• Molecular Weight: 192.11
• EINECS: 206-715-6
• Mol File: 368-94-5.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 178.2 °C at 760 mmHg
• Flash Point: 64.8 °C
• Appearance: /
• Density: 1.339 g/cm³
• CAS DataBase Reference: 4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE(368-94-5)
• EPA Substance Registry System: 4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE(368-94-5)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39
• RIDADR: 3265
• Hazardous Substances Data: 368-94-5(Hazardous Substances Data)

Usage

General Description

4-(Trifluoromethyl)benzoyl fluoride is a chemical compound that is classified under the family of benzoyl halides. It contains carbon, hydrogen, fluorine, and oxygen atoms. 4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE is usually used in synthetic chemistry, specifically in the creation of other chemicals, due to its reactive properties. Its chemical formula is C8H4F4O and its molecular weight is 196.11 g/mol. Most notably, it's known for its high reactivity and should be handled with care as it can cause skin irritation, serious eye damage and may be harmful if inhaled.

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

Upstream product

• 14815-86-2 4-trichloromethylbenzoyl chloride 
• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 
• 711-33-1 4-trifluoromethyl propiophenone 
• 874-60-2 4-methyl-benzoyl chloride 
• 99-94-5 p-Toluic acid 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 50978-45-5 3-oxobenzo[d]isothiazole-2(3H)-carbaldehyde 1,1-dioxide 
• 7664-39-3 hydrogen fluoride 
• 455-24-3 4-trifluoromethylbenzoic acid 
• 349-95-1 4-(trifluoromethyl)benzylic alcohol 
• 120-61-6 1,4-benzenedicarboxylic acid dimethyl ester 
• 100-21-0 terephthalic acid 

Downstream Products

• 1195962-88-9 (1E,3Z)-2-methyl-1-((1S)-1-phenylethoxy)penta-1,3-dien-3-yl 4-(trifluoromethyl)benzoate 
• 455-24-3 4-trifluoromethylbenzoic acid 
• 2967-66-0 methyl 4-(trifluoromethyl)benzoate 
• 214360-65-3 4-trifluoromethylphenylboronic acid pinacol ester 
• 506421-62-1 2-(4-(trifluoromethyl)phenyl)-quinoline 
• 455-18-5 4-CF₃C₆H₄CN 
• 82404-39-5 1-(4-methylphenyl)-2-(4-trifluoromethylphenyl)acetylene 
• 40474-01-9 1-methoxy-4-((4-(trifluoromethyl)phenyl)ethynyl)benzene 
• 370-99-0 4-trifluoromethyldiphenylethyne 
• 447455-27-8 morpholino(4-(trifluoromethyl)phenyl)methanone 
• 113845-69-5 4-(4-trifluoromethylphenyl)morpholine 
• 501374-30-7 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane 
• 581-80-6 4,4'-bis(trifluoromethyl)biphenyl 

Relevant articles and documents

Synthesis method of acyl fluoride

The invention belongs to the technical field of synthesis of organic compounds, and relates to a synthesis method of acyl fluoride. The invention relates to a synthesis method of acyl fluoride, which is characterized in that carboxylic acid trifluoromethy

Cooperative NHC/Photoredox Catalyzed Ring-Opening of Aryl Cyclopropanes to 1-Aroyloxylated-3-Acylated Alkanes

Cyclopropanes are an important class of building blocks in organic synthesis. Herein, a ring-opening/arylcarboxylation/acylation cascade reaction for the 1,3-difunctionalization of aryl cyclopropanes enabled by cooperative NHC and organophotoredox catalysis is reported. The cascade works on monosubstituted cyclopropanes that are in contrast to the heavily investigated donor–acceptor cyclopropanes more challenging to be difunctionalized. The key step is a radical/radical cross coupling of a benzylic radical generated in the photoredox catalysis cycle with a ketyl radical from the NHC catalysis cycle. The transformation features metal-free reaction conditions and tolerates a diverse range of functionalities.

Deoxyfluorination of Carboxylic Acids with KF and Highly Electron-Deficient Fluoroarenes

A deoxyfluorination reaction of carboxylic acids using potassium fluoride (KF) and highly electron-deficient fluoroarenes is reported here, giving acyl fluorides in moderate to excellent yield (57-92% based on NMR integration and 34-95% for isolated examples).