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102407

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
NACRES:
NA.22
PubChem Substance ID:
24846576
UNSPSC Code:
12352100
EC Number:
207-286-8
MDL number:
MFCD00001917
Assay:
99%
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Quality Segment

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

General description

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

Biochem/physiol Actions

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

Pictograms

Exclamation mark
GHS07

Signal Word

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

WGK 3

Flash Point (°F)

226.4 °F - closed cup

Flash Point (°C)

108 °C - closed cup

PPE (personal protective equipment)

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

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