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270318

Supelco

Benzonitrile

suitable for HPLC, 99.9%

Synonym(s):

Phenyl cyanide

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About This Item

Linear Formula:
C6H5CN
CAS Number:
100-47-0
Molecular Weight:
103.12
Beilstein:
506893
EC Number:
202-855-7
MDL number:
MFCD00001770
UNSPSC Code:
12190000
eCl@ss:
39031505
PubChem Substance ID:
329752928
NACRES:
NA.21

Assay

99.9%

form

liquid

purified by

glass distillation

expl. lim.

0.34-6.3 %

technique(s)

HPLC: suitable

impurities

≤0.03% water

evapn. residue

<0.0005%

refractive index

n20/D 1.528 (lit.)

bp

191 °C (lit.)

mp

−13 °C (lit.)

λ

H2O reference

UV absorption

λ: 300 nm Amax: 1.0
λ: 310 nm Amax: 0.40
λ: 335 nm Amax: 0.03
λ: 360-400 nm Amax: 0.01

application(s)

food and beverages

SMILES string

N#Cc1ccccc1

InChI

1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

InChI key

JFDZBHWFFUWGJE-UHFFFAOYSA-N

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

158.0 °F - closed cup

Flash Point(C)

70 °C - closed cup

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A multiphase reaction medium including pressurized carbon dioxide and water for selective hydrogenation of benzonitrile with a Pd/Al2O3 catalyst.
Yoshida H, et al.
Applied Catalysis A: General, 456, 215-222 (2013)
Benzonitrile and acetonitrile complexes of ruthenium ammines.
Clarke RE and Ford PC.
Inorganic Chemistry, 9(2), 227-235 (1970)
Mustafa Supur et al.
The journal of physical chemistry. A, 115(50), 14430-14437 (2011-11-25)
Photoinduced electron-transfer processes of a newly synthesized rodlike covalently linked ferrocene-naphthalenediimide-[60]fullerene (Fc-NDI-C(60)) triad in which Fc is an electron donor and NDI and C(60) are electron acceptors with similar first one-electron reduction potentials have been studied in benzonitrile. In the
Johanna Ungersboeck et al.
Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine, 70(11), 2615-2620 (2012-09-04)
The intention for the present study was to implement a microfluidic set-up for N-(11)C-methylations in a flow-through microreactor device with [(11)C]DASB as model-compound and [(11)C]CH(3)I and [(11)C]CH(3)OTf, respectively, as (11)C-methylation agents. Due to an observed "aging" effect of the (11)C-methylation
Yoshimitsu Hashimoto et al.
Organic & biomolecular chemistry, 10(30), 6003-6009 (2012-05-19)
A variety of highly functionalized polycyclic isoxazoles are prepared by a two-step protocol: (1) 1,3-dipolar cycloaddition of o,o'-disubstituted benzonitrile oxides to para-quinone mono-acetals, then (2) dehydrogenation. The cycloaddition proceeds in a regioselective manner, favouring the formation of the 4-acyl cycloadducts
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