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264482

2,6-Difluorophenylacetic acid

Name: 2,6-Difluorophenylacetic acid
Brand: ALDRICH

97%

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About This Item

Linear Formula:

F₂C₆H₃CH₂CO₂H

CAS Number:

85068-28-6

Molecular Weight:

172.13

UNSPSC Code:

12352100

PubChem Substance ID:

24856020

EC Number:

285-289-3

MDL number:

MFCD00010001

Assay:

97%

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Properties

assay

97%

mp

100-102 °C (lit.)

functional group

carboxylic acid, fluoro

SMILES string

OC(=O)Cc1c(F)cccc1F

InChI

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

InChI key

FUGDCKXBUZFEON-UHFFFAOYSA-N

Description

Application

2,6-Difluorophenylacetic acid has been used in the synthesis of:

α-azidoacetophenones
N-(2,6-difluorobenzyl)-N′-(1H-5-indazolyl)urea

pictograms

GHS07

signalword

Warning

hcodes

H315,H319

pcodes

P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency.

Mariela Bollini et al.

Bioorganic & medicinal chemistry letters, 23(4), 1110-1113 (2013-01-10)

Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calculations. Optimization of the 4-R substituent in 1 led to ethyl and isopropyl analogs 1e

Design and synthesis of Rho kinase inhibitors (II).

Masayuki Iwakubo et al.

Bioorganic & medicinal chemistry, 15(1), 350-364 (2006-10-19)

In a previous study, we identified several structurally unrelated scaffolds of the Rho kinase inhibitor using pharmacophore information obtained from the results of a high-throughput screening and structural information from a homology model of Rho kinase. 1H-Indazole is one of

Global Trade Item Number

SKU	GTIN
264482-1G	04061838348241
264482-5G	04061826123225