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B19401

Sigma-Aldrich

Benzyl cyanide

98%

Sinônimo(s):

Phenylacetonitrile

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About This Item

Fórmula linear:
C6H5CH2CN
Número CAS:
140-29-4
Peso molecular:
117.15
Beilstein:
385941
Número CE:
205-410-5
Número MDL:
MFCD00001894
Código UNSPSC:
12352100
ID de substância PubChem:
24891621
NACRES:
NA.22

pressão de vapor

0.1 mmHg ( 20 °C)

Ensaio

98%

forma

liquid

índice de refração

n20/D 1.523 (lit.)

pb

233-234 °C (lit.)

pf

−24 °C (lit.)

densidade

1.015 g/mL at 25 °C (lit.)

cadeia de caracteres SMILES

N#CCc1ccccc1

InChI

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

chave InChI

SUSQOBVLVYHIEX-UHFFFAOYSA-N

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Pictogramas

Skull and crossbones
GHS06

Palavra indicadora

Danger

Frases de perigo

H301 + H311,H330

Classificações de perigo

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

Código de classe de armazenamento

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

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°F)

215.6 °F - closed cup

Ponto de fulgor (°C)

102 °C - closed cup

Equipamento de proteção individual

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

Certificados de análise (COA)

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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.
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
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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