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Sigma-Aldrich

3,4-Difluorophenylacetic acid

98%

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About This Item

Linear Formula:
F2C6H3CH2CO2H
CAS Number:
658-93-5
Molecular Weight:
172.13
Beilstein:
2577768
EC Number:
211-527-2
MDL number:
MFCD00010002
UNSPSC Code:
12352100
PubChem Substance ID:
24857467
NACRES:
NA.22

Assay

98%

form

solid

mp

46-50 °C (lit.)

SMILES string

OC(=O)Cc1ccc(F)c(F)c1

InChI

1S/C8H6F2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)

InChI key

YCAKYFIYUHHCKW-UHFFFAOYSA-N

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General description

The separation of five positional isomers from 3,4-difluorophenylacetic acid has been investigated using normal- and reversed-phase HPLC, capillary zone electrophoresis, gas chromatography and supercritical fluid chromatography.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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L Zhou et al.
Journal of chromatography. A, 866(2), 281-292 (2000-02-12)
The separation of five positional isomers from 3,4-difluorophenylacetic acid was investigated using normal- and reversed-phase high-performance liquid chromatography, capillary zone electrophoresis, gas chromatography and supercritical fluid chromatography. Operating parameters of each technique, such as temperature, type of stationary phase, mobile
Mateusz Daśko et al.
European journal of medicinal chemistry, 128, 79-87 (2017-02-06)
In the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling
Sebastian Demkowicz et al.
Chemical biology & drug design, 87(2), 233-238 (2015-08-19)
In the present work, we report the initial results of our study on a series of 3-phenylcoumarin sulfamate-based compounds containing C-F bonds as novel inhibitors of steroid sulfatase. The new compounds are potent steroid sulfatase inhibitors, possessing more than 10

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