2-Fluorophenylacetic acid Chemical Properties

Melting point:

60-62 °C (lit.)

Boiling point:

203.5°C (rough estimate)

Density 

1.1850 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Sparingly), Methanol (Slightly)

form 

Solid

pka

4.01±0.10(Predicted)

color 

Off-White

BRN 

775955

InChI

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

InChIKey

RPTRFSADOICSSK-UHFFFAOYSA-N

SMILES

C1(CC(O)=O)=CC=CC=C1F

CAS DataBase Reference

451-82-1(CAS DataBase Reference)

NIST Chemistry Reference

O-fluorophenylacetic acid(451-82-1)

EPA Substance Registry System

Benzeneacetic acid, 2-fluoro- (451-82-1)

Safety Information

Hazard Codes 

Xi

Risk Statements 

38-36/37/38

Safety Statements 

22-24/25-36/37/39-27-26

WGK Germany 

3

F 

13

TSCA 

T

HazardClass 

IRRITANT

HS Code 

29163990

MSDS

• Language:English Provider:2-Fluorophenylacetic acid
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Fluorophenylacetic acid Usage And Synthesis

Chemical Properties

white to off-white shiny crystals or crystalline

Uses

2-Fluorophenylacetic acid was used:

• in the synthesis of thiazolino[3,2-c]pyrimidin-5,7-diones and N-[2-(3,4-dichlorophenyl)-ethyl]-N′-[2-(2-fluorophenyl)-ethyl]-ethane-1,2-diamine
• as chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by ¹⁹F NMR spectroscopy

General Description

2-Fluorophenylacetic acid is chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by ¹⁹F NMR spectroscopy.

Synthesis

The Schlenk tube was heated under a high vacuum, pre-dried with calcium chloride, and filled with CO2 gas. Bis(4-methoxyphenyl)zinc magnesium chloride lithium chloride (12.8 ml, 0:39 M in THF, 5.0 mmol) was added, and CO2 was passed through the solution for 5 minutes. The reaction mixture was stirred at 25 °C for 6 hours. Diethyl ether (50 ml) was added, and the organic phase was extracted with 2M NaOH (3×50 ml). The combined aqueous phases were acidified with 2M HCl (pH <5) and extracted with diethyl ether (3×50 ml). The combined organic phases were dried over sodium sulfate, and the solvent was removed in vacuo. 2-Fluorophenylacetic acid was obtained in a yield of 100%.

2-Fluorophenylacetic acid(451-82-1)Related Product Information

• Stearic acid
• 2-Fluorobenzonitrile
• 1,2-Difluorobenzene
• 2-Hydroxyphenylacetic acid
• 4-Fluorobenzaldehyde
• Transfluthrin
• 2-Chlorophenylacetic acid
• Florfenicol
• Ethyl 2-(Chlorosulfonyl)acetate
• Folic acid
• Citric acid
• 2-Fluorobenzyl cyanide
• 2'-Fluoroacetophenone
• 2-Fluorobenzoic acid
• alpha-Chloro-o-fluorotoluene
• 2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE
• 2-Fluoropropiophenone
• 2-Chlorobenzyl alcohol