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MilliporeSigma

102407

Sigma-Aldrich

4-Fluorophenylacetonitrile

99%

Synonym(s):

4-Fluorobenzyl cyanide

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About This Item

Linear Formula:
FC6H4CH2CN
CAS Number:
459-22-3
Molecular Weight:
135.14
EC Number:
207-286-8
MDL number:
MFCD00001917
UNSPSC Code:
12352100
PubChem Substance ID:
24846576
NACRES:
NA.22

Key Documents

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Quality Level

100

assay

99%

refractive index

n20/D 1.5002 (lit.)

bp

119-120 °C/18 mmHg (lit.)

density

1.126 g/mL at 25 °C (lit.)

functional group

fluoro
nitrile

SMILES string

Fc1ccc(CC#N)cc1

InChI

1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

InChI key

JHQBLYITVCBGTO-UHFFFAOYSA-N

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1 of 4

This Item
146293250376144061
4-Fluorophenylacetonitrile 99%

Sigma-Aldrich

102407

4-Fluorophenylacetonitrile

Ethyl (4-fluorobenzoyl)acetate

Sigma-Aldrich

146293

Ethyl (4-fluorobenzoyl)acetate

4-Formylmorpholine 99%

Sigma-Aldrich

250376

4-Formylmorpholine

4-(Bromomethyl)benzonitrile 99%

Sigma-Aldrich

144061

4-(Bromomethyl)benzonitrile

assay

99%

assay

-

assay

99%

assay

99%

Quality Level

100

Quality Level

100

Quality Level

200

Quality Level

200

refractive index

n20/D 1.5002 (lit.)

refractive index

n20/D 1.5040 (lit.)

refractive index

n20/D 1.485 (lit.)

refractive index

-

bp

119-120 °C/18 mmHg (lit.)

bp

117-120 °C (lit.)

bp

236-237 °C (lit.)

bp

-

density

1.126 g/mL at 25 °C (lit.)

density

1.174 g/mL at 25 °C (lit.)

density

1.145 g/mL at 25 °C (lit.)

density

-

functional group

fluoro

functional group

ester, fluoro, ketone

functional group

ether

functional group

bromo, nitrile

General description

4-Fluorophenylacetonitrile is starting reagent in the synthesis of 1-Alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives[1].

Biochem/physiol Actions

4-Fluorophenylacetonitrile undergoes biotransformation to 4-Fluorophenylacetic acid by marine fungi, Aspergillus sydowii Ce19[2].

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

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

226.4 °F - closed cup

flash_point_c

108 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBG3896V
STBG2743V
S60108V
STBC0499V
STBB9199V

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Susumu Watanuki et al.
Bioorganic & medicinal chemistry, 19(18), 5628-5638 (2011-08-31)
We synthesized and evaluated inhibitory activity against T-type Ca(2+) channels for a series of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives. Structure-activity relationship studies have revealed that dialkyl substituents at the benzylic position play an important role in increasing inhibitory activity. Oral administration of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenylethyl)piperidine-4-carboxamide
Julieta Rangel de Oliveira et al.
Marine biotechnology (New York, N.Y.), 15(1), 97-103 (2012-07-14)
Marine fungi belonging to the genera Aspergillus, Penicillium, Cladosporium, and Bionectria catalyzed the biotransformation of phenylacetonitrile to 2-hydroxyphenylacetic acid. Eight marine fungi, selected and cultured with phenylacetonitrile in liquid mineral medium, catalyzed it quantitative biotransformation to 2-hydroxyphenylacetic acid. In this

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