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2-Fluoro-3-methylbenzoic acid

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2-Fluoro-3-methylbenzoic acid Basic information

Product Name:
2-Fluoro-3-methylbenzoic acid
Synonyms:
  • Benzoic acid, 2-fluoro-3-methyl-
  • 2-FLUORO-3-METHYLBENZOIC ACID
  • 2-Fluoro-3-methylbenzoic acid 98%
  • 2-Fluoro-3-methylbenzoicacid98%
  • 2-Fluoro-m-toluic acid
  • 2-Fluoro-m-toluic acid, 3-Carboxy-2-fluorotoluene
  • 2-Fluoro-3-methylbenzoic Acid >
CAS:
315-31-1
MF:
C8H7FO2
MW:
154.14
Product Categories:
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Benzoic acid
  • Fluorin-contained Benzoic acid series
Mol File:
315-31-1.mol
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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)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
22
Hazard Note 
Irritant
HS Code 
2916399090
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2-Fluoro-3-methylbenzoic acid Usage And Synthesis

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.

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