2-Fluoro-3-methylbenzoic acid Chemical Properties

Melting point:

114-116

Boiling point:

258.4±20.0 °C(Predicted)

Density 

1.258±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

3.34±0.10(Predicted)

color 

White to Almost white

InChI

InChI=1S/C8H7FO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

DGNAETGARNTCIL-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

315-31-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

22

Hazard Note 

Irritant

HS Code 

2916399090

2-Fluoro-3-methylbenzoic acid Usage And Synthesis

Uses

2-Fluoro-3-methylbenzoic acid is a benzoic acid compound with the general physicochemical properties of benzoic acids. It is mainly used as an intermediate in organic synthesis and can be used to prepare derivatives such as acyl chlorides and amides.

Chemical Properties

off white powder

Synthesis

1-Arylbenziodoxolones (0.1 mmol), CH2Cl2 (1 mL), and CF3COOH (100 L) were placed in a Schlenk flask. The reaction mixture was stirred for 1 min at room temperature, and then the solvent was evaporated, and the residue was dried under vacuum. CsF (0.3 mmol, 0.1 mmol), TEMPO (0.1 mmol), and dry DMF (500 L) were added to the residue under an argon atmosphere. The reaction mixture was stirred for 20-30 min at 130-150 C. Then water (3 mL or 5% NaHCO3) and CH2Cl2 (3 mL) were added to the reaction mixture. The organic layer was discarded, and HCl (100 L, 37%) and CH2Cl2 (3mL) were added to the water layer. The mixture was shaken for a minute, and then the organic layer was separated, dried with Na2SO4, and the solvent was evaporated. Finally, product 2-Fluoro-3-methylbenzoic acid was obtained after purification.

2-Fluoro-3-methylbenzoic acid(315-31-1)Related Product Information

• 2-FLUORO-3-NITROBENZOIC ACID
• o-Toluic acid
• m-Toluic acid
• p-Toluic acid
• 4-Bromomethylbenzoic acid
• 4-(Chloromethyl)benzoic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• 4-(Aminomethyl)benzoic acid
• 2-(Trifluoromethyl)benzoic acid
• Fluorine
• 2,6-Difluoro-3-methylbenzoic acid
• TETRAFLUOROISOPHTHALIC ACID
• 2,4,5-Trifluoro-3-methylbenzoic acid
• 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID
• 6-CHLORO-2-FLUORO-3-METHYLBENZOIC ACID
• METHYL 2-METHYL-5-FLUOROBENZOATE
• 5-METHYL-2-(TRIFLUOROMETHYL)BENZOIC ACID
• 4,5-DIFLUORO-2-METHYLBENZOIC ACID