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%
InChI key
SXFFMFAQNAFSLF-UHFFFAOYSA-N
InChI
1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3
SMILES string
CCc1ccc(cc1)C#N
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
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
Polystyrene Backbone Polymers Consisting of Alkyl-Substituted Triazine Side Groups for Phosphorescent OLEDs.
Salert BCD, et al.
Advances in Materials Science and Engineering (2012)
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
1-Cyano-1, 3-butadienes. II. Carbon Structure of the Adduct Formed by the Diels--Alder Condensation of 1-Cyano-1, 3-butadiene with 1, 3-Butadiene.
Snyder HR and Poos GI.
Journal of the American Chemical Society, 71(3), 1057-1058 (1949)
Alkylphenols and arylnitriles in a biologically active neutral subfraction of cigarette smoke condensate.
Miller RL and Stedman RL.
Phytochemistry, 10(5), 1135-1140 (1971)
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