28314-80-9

Basic information

• Product Name: 2,4,6-Trifluorobenzoic acid
• Synonyms: BUTTPARK 44\01-13;2,4,6-TRIFLUOROBENZOIC ACID;TIMTEC-BB SBB006688;RARECHEM AL BO 0448;2,4,6-trifluorobenzoic acid derivatives;2,4,6-TRIFLUOROBENZIOC ACID;2,4,6-Trilfuorobenzoic acid;2,4,6-TRIFLUOROBENZOIC ACID THE DERIVATIVES
• CAS NO: 28314-80-9
• Molecular Formula: C₇H₃F₃O₂
• Molecular Weight: 176.09
• EINECS: 220-603-4
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzene series;Benzoic acid;Heterocyclic Compounds;Miscellaneous;C7;Carbonyl Compounds;Carboxylic Acids;Fluorine series;Pharm intermediate
• Mol File: 28314-80-9.mol
• Article Data: 8

Chemical Properties

• Melting Point: 142-145 °C(lit.)
• Boiling Point: 218.2 °C at 760 mmHg
• Flash Point: 85.7 °C
• Appearance: white to light yellow crystal powder
• Density: 1.4362 (estimate)
• Vapor Pressure: 51.5mmHg at 25°C
• Refractive Index: 1.383
• Storage Temp.: Room temperature.
• Solubility: soluble in Methanol
• PKA: 2.28±0.10(Predicted)
• BRN: 1958300
• CAS DataBase Reference: 2,4,6-Trifluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-Trifluorobenzoic acid(28314-80-9)
• EPA Substance Registry System: 2,4,6-Trifluorobenzoic acid(28314-80-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 28314-80-9(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

2,4,6-Trifluorobenzoic Acid is used in preparation of Difluorophenol.

General Description

2,4,6-Trifluorobenzoic acid is a fluorobenzoic acid. Crystal structure of 2,4,6-trifluorobenzoic acid has been studied.

InChI:InChI=1/C4Cl2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10

Upstream product

• 124-38-9 carbon dioxide 
• 372-38-3 1,3,5-trifluorobenzene 
• 96606-37-0 2,4,6-trifluorobenzonitrile 
• 13656-36-5 3,5-dichloro-2,4,6-trifluorobenzoic acid 
• 2368-53-8 1,3-dichloro-2,4,6-trifluorobenzene 
• 2367-76-2 2,4,6-trifluorobromobenzene 
• 159090-73-0 N-(carboxy-4-fluorophenyl)-8-aminoquinoline 
• 1443144-29-3 2,4,6-trifluoro-N-(quinolin-8-yl)benzamide 
• 20925-85-3 pentachlorobenzonitrile 

Downstream Products

• 724733-74-8 N-[(1S,2S)-1-(4-Bromo-benzyloxymethyl)-3-cyclohexylcarbamoyl-2-hydroxy-propyl]-2,4,6-trifluoro-benzamide 
• 724733-73-7 N-{(1S,2S)-1-(4-Bromo-benzyloxymethyl)-2-hydroxy-3-[2-(3-methoxy-phenyl)-ethylcarbamoyl]-propyl}-2,4,6-trifluoro-benzamide 
• 189283-54-3 4,6-difluoro-2-hydroxybenzoic acid 
• 1253180-90-3 (E)-3-(2,4,6-trifluoro-phenyl)-acrylic acid methyl ester 
• 1269809-37-1 (E)-3-(2,4,6-trifluorophenyl)allyl acetate 
• 1363397-37-8 tert-butyl 4-((2,4,6-trifluorobenzoyloxy)methyl)thiazol-2-ylcarbamate 
• 1360055-72-6 2-(2-{ 3-[5-(5-azetidin-1-ylmethyl-1-methyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-2-hydroxymethyl-phenyl}-8-fluoro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-methyl-propionitrile 
• 1612853-60-7 2-(2-{3-[5-(5-azetidin-1-ylmethyl-1-methyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-2-formylphenyl}-8-fluoro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-methyl-propionitrile 
• 125568-72-1 methyl 2,4,6-trifluoro-3-nitrobenzoate 
• 439239-90-4 Lasmiditan 

Relevant articles and documents

The role of silver additives in gold-mediated C-H functionalisation

The role of silver additives is examined in the context of gold-mediated functionalisation of aromatic C-H bonds. Doubt is cast on the commonly cited route of halide abstraction from gold and evidence of substrate activation is given.

Synthesis method of 3, 5-difluorophenol

The invention discloses a synthetic method of 3, 5-difluorophenol, and belongs to the technical field of chemical synthesis. According to the method, 3,5-difluorophenolate is obtained through a one-pot reaction of 2,4,6-trifluorobenzoic acid in a solvent under the action of alkali, 3,5-difluorophenol is obtained after acid regulation and dissociation, and the method has the advantages of cheap and easily available raw materials, short synthesis steps, simple operation, mild reaction conditions, high synthesis yield, good product quality, suitability for industrial production and the like. According to the method, cheap and easily available pentachloronitrile is taken as a raw material, 2, 4, 6-trifluoro-3, 5-dichlorobenzonitrile is obtained through a fluorination reaction, 2, 4, 6-trifluoro-3, 5-dichlorobenzoic acid is obtained through a hydrolysis reaction, and finally, the raw material 2, 4, 6-trifluoro-3, 5-dichlorobenzoic acid is synthesized through a selective dechlorination reaction, so that simple, cheap and efficient preparation of the raw material 2, 4, 6-trifluorobenzoic acid is realized, and the industrial application value of the synthesis process is improved.

Copper-catalyzed, directing group-assisted fluorination of arene and heteroarene C-H bonds

We have developed a method for direct, copper-catalyzed, auxiliary-assisted fluorination of β-sp2 C-H bonds of benzoic acid derivatives and γ-sp2 C-H bonds of α,α-disubstituted benzylamine derivatives. The reaction employs a CuI cata