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Sigma-Aldrich

2,6-Difluorophenylacetonitrile

96%

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About This Item

Linear Formula:
F2C6H3CH2CN
CAS Number:
654-01-3
Molecular Weight:
153.13
EC Number:
211-504-7
MDL number:
MFCD00009973
UNSPSC Code:
12352100
PubChem Substance ID:
24856023
NACRES:
NA.22

assay

96%

form

liquid

refractive index

n20/D 1.481 (lit.)

density

1.238 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(F)c1CC#N

InChI

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

InChI key

GVAYBGQTAADLJS-UHFFFAOYSA-N

Application

2,6-Difluorophenylacetonitrile has been used in the synthesis of ethyl 4-(2,6-difluorophenyl)-2-ethyl-3-oxobutyrate.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

127.4 °F - closed cup

flash_point_c

53 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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G Sbardella et al.
Antiviral chemistry & chemotherapy, 12(1), 37-50 (2001-07-05)
Several 5-alkyl, 5-alkenyl, 5-iso-alkyl, 5-halo, 5-aminomethyl and 5-carboxy derivatives of S-DABOs (dihydro-alkyl (or cyclo-alkyl)thio-benzyloxopyrimidines), DATNOs (dihydro-alkylthionaphthylmethyl-oxopyrimidines) and F2-S-DABOs (dihydro-alkyl (or cyclo-alkyl)thio-2,6-difluorobenzyl-oxopyrimidines) have been prepared and tested as anti-HIV-1 agents. S-DABO derivatives bearing at C-6 position monosubstituted phenylmethyl or heteroarylmethyl units

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