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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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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)
Microwave spectra of isotopic benzonitriles. Refined molecular structure of benzonitrile.
Casado J, et al.
Journal of Molecular Structure, 8(1-2), 211-224 (1971)
Kenji Ueura et al.
Organic letters, 7(11), 2229-2231 (2005-05-20)
[reaction: see text]. The Suzuki-Miyaura-type cross-coupling of arylboron compounds with aryl halides proceeds efficiently in the presence of a rhodium-based catalyst system to produce the corresponding biaryls. Furthermore, it has unexpectedly been observed that the treatment with benzonitrile under similar
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
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