2,3,6-TRIFLUOROBENZOIC ACID Chemical Properties

Melting point:

130-131 °C (lit.)

Boiling point:

233.5±35.0 °C(Predicted)

Density 

1.536±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

2.00±0.10(Predicted)

color 

White to Almost white

BRN 

2579153

InChI

InChI=1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)

InChIKey

MGUPHQGQNHDGNK-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(F)C=CC(F)=C1F

CAS DataBase Reference

2358-29-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39-36

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

29163990

MSDS

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

2,3,6-TRIFLUOROBENZOIC ACID Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Uses

2,3,6-Trifluorobenzoic acid is a trifluorinated analogue of Benzoic acid (B203900). 2,3,6-Trifluorobenzoic acid is a very useful synthetic intermediate that is commonly used to prepare inhibitors of malaria aspartyl proteases Plasmepsin I and II.

General Description

Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid was studied.

2,3,6-TRIFLUOROBENZOIC ACID(2358-29-4)Related Product Information

• 4-AMINO-2,3,5,6-TETRAFLUOROBENZOIC ACID
• 2,3,5,6-Tetrafluoro-4-hydroxy-benzoic acid
• 2,3,5,6-tetrafluoro-4-mercapto-Benzoic acid
• 2,3,5,6-TETRAFLUORO-4-METHYLBENZOIC ACID
• METHYL PENTAFLUOROBENZOATE
• TETRAFLUOROISOPHTHALIC ACID
• 4-ALLYL-2,3,5,6-TETRAFLUOROBENZOIC ACID
• 4-BROMO-2,3,5,6-TETRAFLUOROBENZOIC ACID
• 2,3,6-TRIFLUOROBENZOIC ACID
• 2,3,5,6-Tetrafluorobenzoic acid
• Pentafluorobenzoic acid
• 3-CHLORO-2,4,5,6-TETRAFLUOROBENZOIC ACID
• Tetrafluoroterephthalic acid
• 3-AMINO-2 5 6-TRIFLUOROBENZOIC ACID 98%,3-AMINO-2,5,6-TRIFLUOROBENZOIC ACID
• ETHYL PENTAFLUOROBENZOATE
• 2,3,5-Trifluorobenzoic acid 98%,2,3,5-TRIFLUOROBENZOIC ACID
• 3-Amino-2,4,5-trifluorobenzoic acid 97%,3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID
• 3-METHYL-2,4,5-TRIFLUOROBENZOIC ACID,3-Methyl-2,4,5-Trifluorobenzoic Acid 99%