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

form 

powder to crystal

pka

2.28±0.10(Predicted)

color 

White to Light yellow

BRN 

1958300

InChIKey

SJZATRRXUILGHH-UHFFFAOYSA-N

CAS DataBase Reference

28314-80-9(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

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,4,6-Trifluorobenzoic acid Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Uses

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

Application

The 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 Description

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

Synthesis

Add 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%.

Structure and conformation

In the title compound, C7H3F3O2, the C—C—C angles in the ring are greater than 120° for F-bonded C atoms [123.69 (13), 123.88 (12) and 123.66 (12)°]. In the crystal, inter-molecular O—H—O hydrogen bonds between carboxyl groups give rise to the formation of a centrosymmetric dimer, while dispersive F—O contacts [2.8849 (16) Å] connect the dimers into infinite strands along the a axis.

2,4,6-Trifluorobenzoic acid(28314-80-9)Related Product Information

• 4-Fluorobenzoic acid
• Trimethoxymethane
• Triethyl orthoformate
• 2-(Trifluoromethyl)benzoic acid
• Trimesic acid
• Pentafluorobenzoic acid
• ETHYL PENTAFLUOROBENZOATE
• 3-METHOXY-2,4,6-TRIFLUOROBENZOIC ACID
• 2,3,4-Trifluorobenzoic acid
• 2,4,5-Trifluorobenzoic acid
• 3-CHLORO-2,4,5,6-TETRAFLUOROBENZOIC ACID
• 3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID
• METHYL PENTAFLUOROBENZOATE
• TETRAFLUOROISOPHTHALIC ACID
• 2,3,6-TRIFLUOROBENZOIC ACID,2,3,6-Trifluorobenzoic acid 98%
• 2,3,5-TRIFLUOROBENZOIC ACID,2,3,5-Trifluorobenzoic acid 98%
• 3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID,3-Amino-2,4,5-trifluorobenzoic acid 97%
• 3-METHYL-2,4,5-TRIFLUOROBENZOIC ACID,3-Methyl-2,4,5-Trifluorobenzoic Acid 99%