B8959
Benzonitrile
ReagentPlus®, 99%
Synonym(s):
Phenyl cyanide
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About This Item
Linear Formula:
C6H5CN
CAS Number:
Molecular Weight:
103.12
NACRES:
NA.21
PubChem Substance ID:
eCl@ss:
39031505
UNSPSC Code:
12352117
EC Number:
202-855-7
MDL number:
Beilstein/REAXYS Number:
506893
Assay:
99%
Bp:
191 °C (lit.)
Quality Segment
product line
ReagentPlus®
assay
99%
form
liquid
expl. lim.
0.34-6.3 %
dilution
(for general lab use)
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
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
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Oral
Storage Class
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
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