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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
Pricing and availability is not currently available.

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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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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM4565
BCCK5782
BCCG4875
BCCB9984
MKCJ0275

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4-Aminobenzyl cyanide 99%

Sigma-Aldrich

A42050

4-Aminobenzyl cyanide

Benzonitrile for synthesis

Sigma-Aldrich

8.01800

Benzonitrile

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
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
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.
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
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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

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    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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