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199346

Sigma-Aldrich

2-Fluorophenylacetonitrile

97%

Synonym(s):

2-Fluorobenzyl cyanide

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About This Item

Linear Formula:
FC6H4CH2CN
CAS Number:
326-62-5
Molecular Weight:
135.14
EC Number:
206-313-0
MDL number:
MFCD00001897
UNSPSC Code:
12352100
PubChem Substance ID:
24851908
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.5009 (lit.)

bp

114-117 °C/20 mmHg (lit.)

density

1.059 g/mL at 25 °C (lit.)

SMILES string

Fc1ccccc1CC#N

InChI

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

InChI key

DAVJMKMVLKOQQC-UHFFFAOYSA-N

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Application

2-Fluorophenylacetonitrile was used in the synthesis of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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McCluskey A, et al.
Royal Society of Chemistry Advances (2014)

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