4-Ethylbenzonitrile
Names
[ CAS No. ]:
25309-65-3
[ 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
Precursor & DownStream
Precursor
DownStream
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
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...