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3,4-Difluorophenylacetic acid

Name: 3,4-Difluorophenylacetic acid
Brand: ALDRICH

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

GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Chromatographic separation of 3,4-difluorophenylacetic acid and its positional isomers using five different techniques.

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

Synthesis and Biological Evaluation of Fluorinated 3-Phenylcoumarin-7-O-Sulfamate Derivatives as Steroid Sulfatase Inhibitors.

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

Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors.

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

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