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Merck
CN

225029

4-Phenylbenzonitrile

95%

Synonym(s):

4-Cyanobiphenyl, Biphenyl-4-carbonitrile

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About This Item

Linear Formula:
C6H5C6H4CN
CAS Number:
2920-38-9
Molecular Weight:
179.22
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
24853474
EC Number:
220-860-2
Beilstein/REAXYS Number:
1907924
MDL number:
MFCD00001821

Key Documents

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InChI key

BPMBNLJJRKCCRT-UHFFFAOYSA-N

InChI

1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H

SMILES string

N#Cc1ccc(cc1)-c2ccccc2

assay

95%

form

liquid crystal

impurities

5% 4-bromobiphenyl

mp

85-87 °C (lit.)

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
S39036V
S39036
S38158
04318JD
02713JD

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A molecular dynamics study of the nematic phase of 4-n-pentyl-4'-cyanobiphenyl.
Picken, S. J., Van Gunsteren, W. F., Duijnen, P. T. V., & De Jeu, W. H.
Liq. Cryst., 6(3), 357-371 (1989)
Angle of twist between the two rings of 4-cyanobiphenyl when dissolved in liquid-crystalline solvents
aDe Luca, G
J. Chem. Soc., Faraday, 88(12), 1679-1684 (1992)
Surface-enhanced Raman scattering of 4-cyanobiphenyl on gold and silver nanoparticle surfaces.
Joo, S. W., Chung, T. D., Jang, W. C., Gong, M. S., Geum, N., & Kim, K.
Langmuir, 18(23), 8813-8816 (2002)

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