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Merck
CN

527726

4-Ethylbenzonitrile

98%

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About This Item

Linear Formula:
C2H5C6H4CN
CAS Number:
Molecular Weight:
131.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
246-811-5
MDL number:
Assay:
98%
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assay

98%

refractive index

n20/D 1.527 (lit.)

bp

237 °C (lit.)

density

0.956 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

CCc1ccc(cc1)C#N

InChI

1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3

InChI key

SXFFMFAQNAFSLF-UHFFFAOYSA-N

General description

4-Ethylbenzonitrile is an electron deficient aromatic nitrile.

Application

4-Ethylbenzonitrile may be used in the preparation of:
  • 2-(3-bromo-phenyl)-4,6-bis-(4-ethyl-phenyl)-[1,3,5]-triazine
  • mixture of 1-benzyl-2-methylbenzene and 1-benzyl-4-methylbenzene


Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

208.0 °F - closed cup

flash_point_c

97.8 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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Ji-Bao Xia et al.
Journal of the American Chemical Society, 135(46), 17494-17500 (2013-11-05)
We report herein an operationally simple method for the direct conversion of benzylic C-H groups to C-F. We show that visible light can activate diarylketones to abstract a benzylic hydrogen atom selectively. Adding a fluorine radical donor yields the benzylic
Antonio Herrera et al.
The Journal of organic chemistry, 79(15), 7012-7024 (2014-07-11)
The reaction of equimolecular amounts of a nitrile and triflic anhydride or triflic acid at low temperature produces an intermediate nitrilium salt that subsequently reacts with 2 equiv of a different nitrile at higher temperature to form 2,4-disusbstituted-6-substituted 1,3,5-triazines in
Alkylphenols and arylnitriles in a biologically active neutral subfraction of cigarette smoke condensate.
Miller RL and Stedman RL.
Phytochemistry, 10(5), 1135-1140 (1971)



Global Trade Item Number

SKUGTIN
527726-1ML04061836821333