527718
2-Ethylbenzonitrile
98%
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About This Item
Linear Formula:
C2H5C6H4CN
CAS Number:
Molecular Weight:
131.17
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
InChI
1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
SMILES string
CCc1ccccc1C#N
InChI key
UZDXATQPJOOHQJ-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.523 (lit.)
bp
94-95 °C/12 mmHg (lit.)
density
0.974 g/mL at 25 °C (lit.)
General description
2-Ethylbenzonitrile is present as one of the constituents in the bioactive neutral sub-fraction of cigarette smoke condensate. It can be obtained from 2-ethylaniline, via Sandmeyer reaction. Density and the refractive index of 2-ethylbenzonitrile at 25°C are 0.9560g/cm3 and 1.5270, respectively.
Application
2-Ethylbenzonitrile may be used to synthesize 2-ethylhexahydrobenzylamine and 2-ethylstyrene.
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
188.6 °F - closed cup
flash_point_c
87 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Regulatory Information
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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)
Arrhenius parameters for rearrangements of the neophyl, 1-indanylmethyl, 2-allylbenzyl, and 2-(2-vinylphenyl) ethyl radicals relative to hydrogen abstraction from tributylstannane.
Franz JA, et al.
Journal of the American Chemical Society, 106(14), 3964-3967 (1984)
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