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264512

2,6-Difluorophenylacetonitrile

Name: 2,6-Difluorophenylacetonitrile
Brand: ALDRICH

96%

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About This Item

Linear Formula:

F₂C₆H₃CH₂CN

CAS Number:

654-01-3

Molecular Weight:

153.13

NACRES:

NA.22

PubChem Substance ID:

24856023

UNSPSC Code:

12352100

EC Number:

211-504-7

MDL number:

MFCD00009973

Assay:

96%

Form:

liquid

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Properties

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

Description

Application

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

pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H302 + H312 + H332,H315,H319,H335

pcodes

P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338

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

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

Regulatory Information

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Structure-activity relationship studies on new DABOS: effect of substitutions at pyrimidine C-5 and C-6 positions on anti-HIV-1 activity.

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

Global Trade Item Number

SKU	GTIN
264512-5G	04061836818890