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Merck
CN

270318

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
NACRES:
NA.21
PubChem Substance ID:
329752928
eCl@ss:
39031505
UNSPSC Code:
12190000
EC Number:
202-855-7
MDL number:
MFCD00001770
Beilstein/REAXYS Number:
506893
Assay:
99.9%
Grade:
HPLC grade
Technique(s):
HPLC: suitable
Bp:
191 °C (lit.)

Key Documents

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SMILES string

N#Cc1ccccc1

InChI key

JFDZBHWFFUWGJE-UHFFFAOYSA-N

InChI

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

grade

HPLC grade

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%

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

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Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBH6979
SHBH3369V
SHBG0366V
SHBD1011V
14996TMV

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Benzonitrile and acetonitrile complexes of ruthenium ammines.
Clarke RE and Ford PC.
Inorganic Chemistry, 9(2), 227-235 (1970)
Microwave spectra of isotopic benzonitriles. Refined molecular structure of benzonitrile.
Casado J, et al.
Journal of Molecular Structure, 8(1-2), 211-224 (1971)
Lanthanide-imido complexes and their reactions with benzonitrile.
Dongmei Cui et al.
Angewandte Chemie (International ed. in English), 44(6), 959-962 (2004-12-22)
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)
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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