Description
Benzonitrile, ReagentPlus®, 99%, 100ML
Synonym(s):
Phenyl cyanide
Linear Formula:
C6H5CN
CAS Number:
100-47-0
Molecular Weight:
103.12
Beilstein:
506893
EC Number:
202-855-7
MDL number:
MFCD00001770
eCl@ss:
39031505
PubChem Substance ID:
329773147
NACRES:
NA.21
PROPERTIES
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
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.[1][2]
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.[3]
- Building block or starting material in various organic synthesis reactions.[1]
- Employed in coupling reactions, such as Suzuki couplings or Heck reactions, to facilitate the formation of carbon-carbon bonds.[3]
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
SAFETY INFORMATION
Pictograms
GHS07
Signal Word
Warning
Hazard Statements
H302 + H312
Precautionary Statements
P264 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364 - P501
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