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HomeProduct name list2-Fluoro-3-methylbenzoic acid

2-Fluoro-3-methylbenzoic acid

2-Fluoro-3-methylbenzoic acid Structural

What is 2-Fluoro-3-methylbenzoic acid?

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

Properties of 2-Fluoro-3-methylbenzoic acid

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)
CAS DataBase Reference 315-31-1(CAS DataBase Reference)

Safety information for 2-Fluoro-3-methylbenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 2-Fluoro-3-methylbenzoic acid

InChIKey DGNAETGARNTCIL-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C)=C1F

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