Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

B8959

Sigma-Aldrich

Benzonitrile

ReagentPlus®, 99%

Synonym(s):

Phenyl cyanide

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
C6H5CN
CAS Number:
100-47-0
Molecular Weight:
103.12
Beilstein:
506893
EC Number:
202-855-7
MDL number:
MFCD00001770
UNSPSC Code:
12352117
eCl@ss:
39031505
PubChem Substance ID:
329773147
NACRES:
NA.21

Quality Level

200

product line

ReagentPlus®

Assay

99%

form

liquid

expl. lim.

0.34-6.3 %

refractive index

n20/D 1.528 (lit.)

bp

191 °C (lit.)

mp

−13 °C (lit.)

SMILES string

N#Cc1ccccc1

InChI

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

InChI key

JFDZBHWFFUWGJE-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

General description

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.

Application

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.

Legal Information

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

158.0 °F - closed cup

Flash Point(C)

70 °C - closed cup

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’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
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)
Johanna Ungersboeck et al.
Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine, 70(11), 2615-2620 (2012-09-04)
The intention for the present study was to implement a microfluidic set-up for N-(11)C-methylations in a flow-through microreactor device with [(11)C]DASB as model-compound and [(11)C]CH(3)I and [(11)C]CH(3)OTf, respectively, as (11)C-methylation agents. Due to an observed "aging" effect of the (11)C-methylation
Mustafa Supur et al.
The journal of physical chemistry. A, 115(50), 14430-14437 (2011-11-25)
Photoinduced electron-transfer processes of a newly synthesized rodlike covalently linked ferrocene-naphthalenediimide-[60]fullerene (Fc-NDI-C(60)) triad in which Fc is an electron donor and NDI and C(60) are electron acceptors with similar first one-electron reduction potentials have been studied in benzonitrile. In the
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service