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B8959

Sigma-Aldrich

Benzonitril

ReagentPlus®, 99%

Synonym(e):

Phenylcyanid

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About This Item

Lineare Formel:
C6H5CN
CAS-Nummer:
100-47-0
Molekulargewicht:
103.12
Beilstein:
506893
EG-Nummer:
202-855-7
MDL-Nummer:
MFCD00001770
UNSPSC-Code:
12352117
eCl@ss:
39031505
PubChem Substanz-ID:
329773147
NACRES:
NA.21

Qualitätsniveau

200

Produktlinie

ReagentPlus®

Assay

99%

Form

liquid

Expl.-Gr.

0.34-6.3 %

Brechungsindex

n20/D 1.528 (lit.)

bp

191 °C (lit.)

mp (Schmelzpunkt)

−13 °C (lit.)

SMILES String

N#Cc1ccccc1

InChI

1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

InChIKey

JFDZBHWFFUWGJE-UHFFFAOYSA-N

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Allgemeine Beschreibung

Benzonitrile, also known as a phenyl cyanide compound, is a useful solvent and a versatile precursor to many derivatives. It is a good solvent for the study of inorganic, organic, anhydrous, and organometallic compounds.

Anwendung

Benzonitrile can be used as:
  • An electrochemical solvent to investigate the electrochemistry, spectroscopic properties, and reactivity of a series of cobalt porphyrins with various substituents.
  • Building block or starting material in various organic synthesis reactions.
  • Employed in coupling reactions, such as Suzuki couplings or Heck reactions, to facilitate the formation of carbon-carbon bonds.

Rechtliche Hinweise

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Piktogramme

Exclamation mark
GHS07

Signalwort

Warning

H-Sätze

H302 + H312

Gefahreneinstufungen

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Lagerklassenschlüssel

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 1

Flammpunkt (°F)

158.0 °F - closed cup

Flammpunkt (°C)

70 °C - closed cup

Analysenzertifikate (COA)

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Purification of solvents for electroanalysis: benzonitrile; dichloromethane; 1, 1-dichloroethane and 1, 2-dichloroethane
Kadish KM, et al.
Pure and Applied Chemistry. Chimie Pure Et Appliquee, 59(5), 703-714 (1987)
Vibrational fundamentals and natural bond orbitals analysis of some tri-fluorinated benzonitriles in ground state
Mukherjee V, et al.
Spectrochimica Acta Part A: Molecular Spectroscopy, 81(1), 609-619 (2011)
Electrochemistry and Spectroelectrochemistry of Cobalt Porphyrins with ?-Extending and/or Highly Electron-Withdrawing Pyrrole Substituents. In Situ Electrogeneration of ?-Bonded Complexes
Ke X, et al.
Inorganic Chemistry, 57(3), 1490-1503 (2018)
Yoshimitsu Hashimoto et al.
Organic & biomolecular chemistry, 10(30), 6003-6009 (2012-05-19)
A variety of highly functionalized polycyclic isoxazoles are prepared by a two-step protocol: (1) 1,3-dipolar cycloaddition of o,o'-disubstituted benzonitrile oxides to para-quinone mono-acetals, then (2) dehydrogenation. The cycloaddition proceeds in a regioselective manner, favouring the formation of the 4-acyl cycloadducts
Jessica L Durham et al.
Inorganic chemistry, 51(14), 7825-7836 (2012-07-07)
The preparation of two new families of hexanuclear rhenium cluster complexes containing benzonitrile and phenyl-substituted tetrazolate ligands is described. Specifically, we report the preparation of a series of cluster complexes with the formula [Re(6)Se(8)(PEt(3))(5)L](2+) where L = benzonitrile, p-aminobenzonitrile, p-methoxybenzonitrile
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