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527726

Sigma-Aldrich

4-Ethylbenzonitrile

98%

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About This Item

Linear Formula:
C2H5C6H4CN
CAS Number:
25309-65-3
Molecular Weight:
131.17
EC Number:
246-811-5
MDL number:
MFCD00016383
UNSPSC Code:
12352100
PubChem Substance ID:
24874640
NACRES:
NA.22

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.[1]

Application

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

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

208.0 °F - closed cup

Flash Point(C)

97.8 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
09718BC
06714HI

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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
Alkylphenols and arylnitriles in a biologically active neutral subfraction of cigarette smoke condensate.
Miller RL and Stedman RL.
Phytochemistry, 10(5), 1135-1140 (1971)
Yaws CL.
The Yaws Handbook of Vapor Pressure: Antoine coefficients , 234-234 (2015)
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)
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