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Dokumente

B19401

Sigma-Aldrich

Benzylcyanid

98%

Synonym(e):

Benzylcyanid

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About This Item

Lineare Formel:
C6H5CH2CN
CAS-Nummer:
140-29-4
Molekulargewicht:
117.15
Beilstein:
385941
EG-Nummer:
205-410-5
MDL-Nummer:
MFCD00001894
UNSPSC-Code:
12352100
PubChem Substanz-ID:
24891621
NACRES:
NA.22

Dampfdruck

0.1 mmHg ( 20 °C)

Assay

98%

Form

liquid

Brechungsindex

n20/D 1.523 (lit.)

bp

233-234 °C (lit.)

mp (Schmelzpunkt)

−24 °C (lit.)

Dichte

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

InChIKey

SUSQOBVLVYHIEX-UHFFFAOYSA-N

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Piktogramme

Skull and crossbones
GHS06

Signalwort

Danger

Gefahreneinstufungen

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

Lagerklassenschlüssel

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

WGK

WGK 2

Flammpunkt (°F)

215.6 °F - closed cup

Flammpunkt (°C)

102 °C - closed cup

Persönliche Schutzausrüstung

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

Analysenzertifikate (COA)

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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
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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