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Merck
CN

B19401

Sigma-Aldrich

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
Beilstein:
385941
EC Number:
205-410-5
MDL number:
MFCD00001894
UNSPSC Code:
12352100
PubChem Substance ID:
24891621
NACRES:
NA.22

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

Signal Word

Danger

Hazard Statements

H301 + H311,H330

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Magzoub O Bashir et al.
Journal of insect physiology, 56(6), 640-645 (2010-02-09)
Previous studies had demonstrated stage differentiation in the cohesion (aggregation) pheromone systems of the desert locust, Schistocerca gregaria. In laboratory arena, the nymphal and adult stages responded aggregatively to their own pheromone, but dispersed evenly within the arena in the
Beatrice Blenn et al.
Journal of chemical ecology, 38(7), 882-892 (2012-05-17)
Egg deposition by the Large Cabbage White butterfly Pieris brassicae on Brussels sprouts plants induces indirect defense by changing the leaf surface, which arrests the egg parasitoid Trichogramma brassicae. Previous studies revealed that this indirect defense response is elicited by
Edwin Rono et al.
Journal of insect physiology, 54(1), 162-168 (2007-10-16)
The responses of (i) groups of crowd-reared mature males of desert locust, Schistocerca gregaria to a choice of two columns of air, one permeated with different concentrations of phenylacetonitrile (PAN), the major component of gregarious-phase male-produced pheromone, and the other
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
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
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