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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
Assay:
98%
Form:
liquid

Key Documents

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vapor pressure

0.1 mmHg ( 20 °C)

Quality Level

200

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.)

SMILES string

N#CCc1ccccc1

InChI

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

InChI key

SUSQOBVLVYHIEX-UHFFFAOYSA-N

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Related Categories

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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Tekla Strzalko et al.
The Journal of organic chemistry, 77(15), 6431-6442 (2012-06-30)
Mechanisms of alkylation by PhCH(2)Cl or CH(3)I in THF and of deuteriation by DCl (4 N in D(2)O) in THF or THF-toluene of lithiated phenylacetonitrile monoanions and dianions obtained with LHMDS, LDA, or n-BuLi are studied by vibrational and NMR
Jacques Corset et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(5), 1340-1346 (2007-05-01)
The carbanionic species possibly formed during the first alkylation step of phenylacetonitrile lithiated anion by CH(3)I and PhCH(2)Cl in THF-hexane solution and their complexes with the lithium salt formed have been observed by infrared spectrometry and characterized by density functional
Dunming Zhu et al.
Journal of biotechnology, 133(3), 327-333 (2007-12-07)
A nitrilase gene blr3397 from Bradyrhizobium japonicum USDA110 was cloned and over-expressed in Escherichia coli, and the encoded protein was purified to give a nitrilase with a single band of about 34.5kD on SDS-PAGE. The molecular weight of the holoenzyme
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
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
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Global Trade Item Number

SKUGTIN
B19401-250G04061837508127
B19401-1KG04061837508110

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