4-Ethylbenzonitrile

Names

[ Name ]:
4-Ethylbenzonitrile

[Synonym ]:
p-Ethylbenzonitrile
MFCD00016383
4-ethyl benzonitrile
EINECS 246-811-5
p-cyanoethylbenzene
1-cyano-4-ethylbenzene
4-cyanoethylbenzene
Benzonitrile,4-ethyl
4-ethylbenzenecarbonitrile

Chemical & Physical Properties

[ Density]:
0.956 g/mL at 25 °C(lit.)

[ Boiling Point ]:
237 °C(lit.)

[ Molecular Formula ]:
C₉H₉N

[ Molecular Weight ]:
131.17400

[ Flash Point ]:
208 °F

[ Exact Mass ]:
131.07300

[ PSA ]:
23.79000

[ LogP ]:
2.12068

[ Vapour Pressure ]:
0.0824mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.527(lit.)

MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Chlorobenzonitrile
Ethylmagnesium chloride
4-ethylbenzamide
p-Tolunitrile
methyl iodide
4-Bromoethylbenzene
4-Ethylaniline
zinc,dicyanide
1-Ethyl-4-nitrobenzene

DownStream

4-ethylbenzamide
P-ETHYLACETOPHENONE
4-CYANOSTYRENE
Ethyl (4-cyanophenyl)(oxo)acetate
2-Bromo-4'-cyanoacetophenone
1,4-Diethylbenzene
P-CYANOACETOPHENONE
(R)-1-(4-Isocyanophenyl)ethanol
4-Ethylbenzoic acid

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Rational design of novel CYP2A6 inhibitors.

Bioorg. Med. Chem. 22(23) , 6655-64, (2015)

Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by e...

One-pot synthesis of 1,3,5-triazine derivatives via controlled cross-cyclotrimerization of nitriles: a mechanism approach.

J. Org. Chem. 79(15) , 7012-24, (2014)

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...

Visible light-promoted metal-free C-H activation: diarylketone-catalyzed selective benzylic mono- and difluorination.

J. Am. Chem. Soc. 135(46) , 17494-500, (2013)

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 sele...