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Sigma-Aldrich

2,4-Difluorophenylacetonitrile

97%

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About This Item

Linear Formula:
F2C6H3CH2CN
CAS Number:
656-35-9
Molecular Weight:
153.13
EC Number:
211-514-1
MDL number:
MFCD00009971
UNSPSC Code:
12352100
PubChem Substance ID:
24856021
NACRES:
NA.22

assay

97%

form

liquid

refractive index

n20/D 1.48 (lit.)

density

1.249 g/mL at 25 °C (lit.)

SMILES string

Fc1ccc(CC#N)c(F)c1

InChI

1S/C8H5F2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

InChI key

AGAOESUOSOGZOD-UHFFFAOYSA-N

Application

2,4-Difluorophenylacetonitrile has been used in the preparation of (E,Z)-(4S)-4-tert-butoxycarbonylamino-3-hydroxy-2-(3,5-difluorophenyl)-5-phenyl-2pentenenitrile.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

199.4 °F - closed cup

flash_point_c

93 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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M Vaillancourt et al.
Bioorganic & medicinal chemistry, 2(5), 343-355 (1994-05-01)
A series of enol HIV-1 protease inhibitors which show competitive inhibition and the structure-activity relationship study which led to the design of these compounds are reported. By systematically modifying simple amino acids, Boc-Phe enol and Boc-Tyr enol derivatives yield nanomolar

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