3-Fluoro-5-(trifluoromethyl)benzoic acid Chemical Properties

Melting point:

104 °C

Boiling point:

239.6±40.0 °C(Predicted)

Density 

1.489±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

3.43±0.10(Predicted)

color 

White to Light yellow to Light orange

InChI

InChI=1S/C8H4F4O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)

InChIKey

NSGKIIGVPBTOBF-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

161622-05-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-37/39

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29163990

MSDS

• Language:English Provider:ALFA

3-Fluoro-5-(trifluoromethyl)benzoic acid Usage And Synthesis

Chemical Properties

White powder

Synthesis

Preparation of 3-fluoro-5-(trifluoromethyl)benzoic acid : In 100 ml four necked round bottom flask equipped with mechanical stirrer, thermometer, reflux condenser and an addition funnel, sodium hydroxide (6.35 g) and water (10 ml) was added and stirred for 15 mins at 25-35°C. To this, 3-fluoro-5- (trifluoromethyl)benzonitrile (10 g) was added and heated to 85-90°C. The reaction mass was stirred at 85-90°C for 2 hrs. After completion of reaction, the reaction mass was allowed to cool to 25-35°C. Then, the reaction mass was acidified with aqueous hydrochloric acid and stirred for 30 mins at 25-35°C. The solid formed was filtered, washed with water, suck dried and then dried under vacuum at 50-55°C for 6 hrs to get the title compound. Yield: 8 g.

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