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Sigma-Aldrich

2-Ethylbenzonitrile

98%

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About This Item

Linear Formula:
C2H5C6H4CN
CAS Number:
34136-59-9
Molecular Weight:
131.17
MDL number:
MFCD00045597
UNSPSC Code:
12352100
PubChem Substance ID:
24874639

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.)

SMILES string

CCc1ccccc1C#N

InChI

1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3

InChI key

UZDXATQPJOOHQJ-UHFFFAOYSA-N

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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