294098

Sigma-Aldrich

Benzonitrile

anhydrous, ≥99%

Synonym(s):
Phenyl cyanide
Linear Formula:
C6H5CN
CAS Number:
Molecular Weight:
103.12
Beilstein/REAXYS Number:
506893
EC Number:
MDL number:
eCl@ss:
39031505
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

anhydrous

assay

≥99%

form

liquid

expl. lim.

0.34-6.3 %

impurities

<0.003% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0003%

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

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Application

Benzonitrile may be used in the synthesis of organic building blocks such as 2-cyclopentylacetophenone, 4-carbomethoxy-5-methoxy-2-phenyl-1,3-oxazole and 1-phenyl-3,4-dihydro-6,7-methylenedioxyisoquinoline. It may also be used as a solvent in the synthesis of bis(trifluoromethyl)diazomethane.

Packaging

1 L in Sure/Seal™
100 mL in Sure/Seal™

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2224 6.1 / PGII

WGK Germany

WGK 1

Flash Point(F)

158.0 °F - closed cup

Flash Point(C)

70 °C - closed cup

Rhodium-catalyzed heterocycloaddition of a diazomalonate and a nitrile: 4-carbomethoxy-5-methoxy-2-phenyl-1,3-oxazole
Tullis JS and Helquist P
Organic Syntheses, 74, 229-229 (1997)
Bis(trifluoromethyl)diazomethane
Middleton WJ and Gale DM
Organic Syntheses, 50, 6-6 (1970)
Selective halogen-lithium exchange reactions of 2-(2'-halophenyl)ethyl halides: synthesis of 4,5-methylenedioxybenzocyclobutene and 1-phenyl-3,4-dihydro-6,7-methylenedioxyisoquinoline
Jakiela DJ, et al
Organic Syntheses, 62, 74-74 (1984)
Generation and cyclization of 5-hexenyllithium: 2-cyclopentylacetophenone
Bailey WF, et al
Organic Syntheses, 81, 121-121 (2005)
Benzonitrile and acetonitrile complexes of ruthenium ammines.
Clarke RE and Ford PC.
Inorganic Chemistry, 9(2), 227-235 (1970)

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