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Merck
CN

294098

Benzonitrile

anhydrous, ≥99%

Synonym(s):

Phenyl cyanide

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About This Item

Linear Formula:
C6H5CN
CAS Number:
100-47-0
Molecular Weight:
103.12
NACRES:
NA.21
PubChem Substance ID:
57648369
eCl@ss:
39031505
UNSPSC Code:
12352002
EC Number:
202-855-7
MDL number:
MFCD00001770
Beilstein/REAXYS Number:
506893
Assay:
≥99%
Grade:
anhydrous
Bp:
191 °C (lit.)

Key Documents

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InChI key

JFDZBHWFFUWGJE-UHFFFAOYSA-N

InChI

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

SMILES string

N#Cc1ccccc1

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%

Quality Level

100

bp

191 °C (lit.)

mp

−13 °C (lit.)

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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.

pictograms

Exclamation mark
GHS07

signalword

Warning

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBP3096
SHBM3718
SHBL2073
SHBK6494
SHBJ8742

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Bis(trifluoromethyl)diazomethane
Middleton WJ and Gale DM
Organic Syntheses, 50, 6-6 (1970)
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)
Generation and cyclization of 5-hexenyllithium: 2-cyclopentylacetophenone
Bailey WF, et al
Organic Syntheses, 81, 121-121 (2005)
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)
Benzonitrile and acetonitrile complexes of ruthenium ammines.
Clarke RE and Ford PC.
Inorganic Chemistry, 9(2), 227-235 (1970)
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