3-Fluorophenylacetic acid Chemical Properties

Melting point:

42-44 °C (lit.)

Boiling point:

151 °C

Density 

1.1850 (estimate)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

4.10±0.10(Predicted)

color 

White to Almost white

Water Solubility 

Slightly soluble in chloroform and methanol. Insoluble in water.

BRN 

775898

InChI

InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

YEAUYVGUXSZCFI-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

331-25-9(CAS DataBase Reference)

NIST Chemistry Reference

M-fluorophenylacetic acid(331-25-9)

EPA Substance Registry System

Benzeneacetic acid, 3-fluoro- (331-25-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

38-36/37/38

Safety Statements 

22-24/25-36-26

WGK Germany 

3

TSCA 

TSCA listed

HazardClass 

IRRITANT

HS Code 

29163900

Storage Class

13 - Non Combustible Solids

MSDS

• Language:English Provider:3-Fluorophenylacetic acid
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Fluorophenylacetic acid Usage And Synthesis

Chemical Properties

White to pale yellow or light beige crystalline

Uses

3-Fluorophenylacetic acid has been used as building block to synthesize the pentaamine and bis-heterocyclic libraries. It is also used as a medicine intermediates.

Uses

3-Fluorophenylacetic acid has been used as building block to synthesize the pentaamine and bis-heterocyclic libraries.

Synthesis

Preparation of m-fluorophenylacetic acid: 350 g of 32% HCl and 250 g of 3-fluoroaniline were added to the reaction flask, heated and stirred until dissolved clear. Cool down to -5 to 5 ??, 20 g tetramethyl ammonium chloride and 20 g copper chloride. Acetone solution containing 300 g of vinylidene chloride was added dropwise. Maintaining the temperature, slowly add dropwise a solution containing 230 g of isopropyl nitrite and 200 g of acetone. Hold the reaction for 2 hours. The reaction was completed and quenched. Dichloromethane was added and extracted and distilled and collected to give 1-(2,2,2-trichloroethyl)-3-fluorobenzene 398 g. A three-necked flask was protected with nitrogen and 500 g of water and 60 g of p-toluenesulfonic acid were added. Heated to 80-95??C. 300g of intermediate 1-(2,2,2-trichloroethyl)-3-fluorobenzene was added dropwise. Dropwise addition was completed and the reaction was held for 8 hours. The reaction was completed. The system was quenched by adding dropwise to ice water at reduced temperature. Filtered, washed with water, dried and recrystallized with dichloroethane to obtain the pure m-fluorophenylacetic acid 151.2 g, HPLC purity greater than 99 wt%.

3-Fluorophenylacetic acid(331-25-9)Related Product Information

• Florfenicol
• Folic acid
• Stearic acid
• 1,3-Difluorobenzene
• Transfluthrin
• 4-Fluorobenzaldehyde
• Ethyl 2-(Chlorosulfonyl)acetate
• Citric acid
• Ascoric Acid
• 2,3-DIFLUOROMANDELIC ACID
• 3-FLUORO-4-METHOXYPHENYLACETIC ACID
• 3,5-Difluorophenylacetic acid
• AMINO-(3-FLUORO-PHENYL)-ACETIC ACID
• 2,5-Difluoromandelic acid
• 3,4-DIFLUOROMANDELIC ACID
• 2,3,4,5,6-PENTAFLUOROPHENYLACETIC ACID
• 3,5-Difluoromandelic acid
• 3,4-Difluorophenylacetic acid