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HomeProduct name list3-Fluoro-5-(trifluoromethyl)benzoic acid

3-Fluoro-5-(trifluoromethyl)benzoic acid

3-Fluoro-5-(trifluoromethyl)benzoic acid Structural

What is 3-Fluoro-5-(trifluoromethyl)benzoic acid?

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.
3-Fluoro-5-(trifluoromethyl)benzoic acid

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

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)
CAS DataBase Reference 161622-05-5(CAS DataBase Reference)

Safety information for 3-Fluoro-5-(trifluoromethyl)benzoic 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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-Fluoro-5-(trifluoromethyl)benzoic acid

InChIKey NSGKIIGVPBTOBF-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C(F)(F)F)=CC(F)=C1

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