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Merck
CN

B19401

Benzyl cyanide

98%

Synonym(s):

Phenylacetonitrile

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About This Item

Linear Formula:
C6H5CH2CN
CAS Number:
140-29-4
Molecular Weight:
117.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24891621
EC Number:
205-410-5
Beilstein/REAXYS Number:
385941
MDL number:
MFCD00001894

Key Documents

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Product Name

Benzyl cyanide, 98%

InChI key

SUSQOBVLVYHIEX-UHFFFAOYSA-N

InChI

1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

SMILES string

N#CCc1ccccc1

vapor pressure

0.1 mmHg ( 20 °C)

assay

98%

form

liquid

refractive index

n20/D 1.523 (lit.)

bp

233-234 °C (lit.)

mp

−24 °C (lit.)

density

1.015 g/mL at 25 °C (lit.)

Quality Level

200

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pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral

Storage Class

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

wgk

WGK 2

flash_point_f

215.6 °F - closed cup

flash_point_c

102 °C - closed cup

ppe

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

Regulatory Information

危险化学品
易制毒化学品（3类）
非剧毒-急性毒性1
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN2750
BCCM4565
BCCK5782
BCCG4875
BCCB9984

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José Luis García Ruano et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 16(21), 6317-6325 (2010-04-23)
Enantiomerically enriched alpha,alpha-disubstituted phenylacetonitriles have been readily prepared by stereoselective quaternization of 2-alkyl-2-[2-(p-tolylsulfinyl)phenyl]acetonitriles with different alkylating electrophiles in the presence of bases. The use of potassium hexamethyldisilazane (KHMDS)/[18]crown-6 ether and NHMDS with alkyl halides afforded S,S(S) and R,S(S) diastereoisomers, respectively
P A Vivekanand et al.
Ultrasonics sonochemistry, 18(5), 1241-1248 (2011-03-08)
In the current study, kinetics of synthesis of 2-phenylvaleronitrile (PVN) was successfully carried out by selective C-alkylation of benzyl cyanide (BC) with n-bromopropane (BP) using aqueous KOH and catalyzed by TBAB under ultrasonic (300W) assisted organic solvent-free conditions. Selective monoalkylation
Martinus E Huigens et al.
Proceedings of the National Academy of Sciences of the United States of America, 106(3), 820-825 (2009-01-14)
Many insects possess a sexual communication system that is vulnerable to chemical espionage by parasitic wasps. We recently discovered that a hitch-hiking (H) egg parasitoid exploits the antiaphrodisiac pheromone benzyl cyanide (BC) of the Large Cabbage White butterfly Pieris brassicae.
Martinus E Huigens et al.
Journal of chemical ecology, 37(4), 364-367 (2011-04-01)
Males of a variety of insects transfer an anti-aphrodisiac pheromone to females during mating that renders them less attractive to conspecific males. In cabbage white butterflies, the transfer of an anti-aphrodisiac can result in the unwanted attraction of tiny egg
Hui-Lei Hou et al.
The Journal of organic chemistry, 77(5), 2553-2558 (2012-02-10)
Aerobic oxidations of dianionic C(60) were examined in PhCN and PhCH(2)CN, where dioxygen was activated to O(2)(•-) via the single-electron transfer from C(60)(2-) and underwent oxygenation and dehydrogenation reactions, respectively. Addition of PhCH(2)Br led to further benzylation for the oxygenated
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