2,4,6-Trifluorobenzoic acid

2,4,6-Trifluorobenzoic acid Basic information
Product Name:2,4,6-Trifluorobenzoic acid
Synonyms:RARECHEM AL BO 0448;2,4,6-TRIFLUOROBEN;2,4,6-Trifluorobenzoic Acid, 97+%;BUTTPARK 44\01-13;2,4,6-TRIFLUOROBENZOIC ACID;2,4,6-Trifluorobenzo;2,4,6-trifluorobenzoic acid derivatives;2,4,6-TRIFLUOROBENZIOC ACID
CAS:28314-80-9
MF:C7H3F3O2
MW:176.09
EINECS:220-603-4
Product Categories:Pharm intermediate;Fluorine series;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzene series;Benzoic acid;Heterocyclic Compounds;Miscellaneous;C7;Carbonyl Compounds;Carboxylic Acids
Mol File:28314-80-9.mol
2,4,6-Trifluorobenzoic acid Structure
2,4,6-Trifluorobenzoic acid Chemical Properties
Melting point 142-145 °C (lit.)
Boiling point 218.2±35.0 °C(Predicted)
density 1.4362 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility soluble in Methanol
pka2.28±0.10(Predicted)
form powder to crystal
color White to Light yellow
BRN 1958300
InChIKeySJZATRRXUILGHH-UHFFFAOYSA-N
CAS DataBase Reference28314-80-9(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-37/39-36
WGK Germany 3
HazardClass IRRITANT
HS Code 29163990
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
2,4,6-Trifluorobenzoic acid Usage And Synthesis
Chemical Propertieswhite to light yellow crystal powder
Uses2,4,6-Trifluorobenzoic Acid is used in preparation of Difluorophenol.
ApplicationThe 2,4,6-Trifluorobenzoic acid is crucial and an important raw material for preparing the photosensitizers, medicines and pesticides, and also finds applications in pharmaceutical and agrochemical industries.
General Description2,4,6-Trifluorobenzoic acid is a fluorobenzoic acid. Crystal structure of 2,4,6-trifluorobenzoic acid has been studied.
SynthesisAdd 90 grams of 2,4,6-trifluoro-3,5-dichlorobenzoic acid, 540 grams of water, 33 grams of magnesium oxide, and 0.9 grams of 10% wet palladium-carbon to a 1-liter pressure-resistant reactor. Replace the gas with nitrogen 3 times, and then replace the gas with hydrogen 5 times. Use hydrogen to control the internal pressure of the kettle to 0.8-0.9 MPa, turn on the stirring, increase the temperature to 80-85°C for 10 hours, and stop the reaction. The reaction system is lowered to room temperature, the pressure in the kettle is removed, the reaction liquid is filtered, and the filtrate is adjusted to pH 1-2 with 20% hydrobromic acid solution, filtered, and the filter cake is rinsed and dried to obtain 2,4,6-Trifluorobenzoic acid 62.95 grams, the yield is 97.3%, and the purity is 99.1%.
2,4,6-Trifluorobenzoic acid Preparation Products And Raw materials
Raw materialsn-Butyllithium-->CARBON DIOXIDE-->1,3,5-Trifluorobenzene
Preparation Products2,4,6-TRIFLUOROBENZOYL CHLORIDE-->Methyl 2,4,6-trifluorobenzoate
2,4,6-TRIFLUORO-3,5-BIS(TRIMETHYLSILYL)BENZOIC ACID RARECHEM AL BI 0315 METHYL PENTAFLUOROBENZOATE 4-FLUORO-3-METHYLPHENOL-PFB 2,4,6-TRIFLUORO-3,5-DIMETHYLBENZOIC ACID 2,4,6-TRIFLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID 2 3 4 5 6-PENTAFLUOROBENZOIC ANHYDRIDE 2,3,4-TRIFLUOROBENZOIC ACID METHYL ESTER 4-METHYL-2,3,5-TRIFLUOROBENZOIC ACID Sodium 2,3,4,5,6-pentafluorobenzoate trifluorobenzene 2,4,6-TRIFLUORO-3-(TRIMETHYLSILYL)BENZOIC ACID 2,3,4,6-TETRAFLUOROBENZOIC ACID 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID 3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID TETRAFLUOROISOPHTHALIC ACID RARECHEM AL BF 0315 2-FLUOROPHENOL-PFB

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