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225029

Sigma-Aldrich

4-Phenylbenzonitrile

95%

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Synonym(s):
4-Cyanobiphenyl, Biphenyl-4-carbonitrile
Linear Formula:
C6H5C6H4CN
CAS Number:
2920-38-9
Molecular Weight:
179.22
Beilstein:
1907924
EC Number:
220-860-2
MDL number:
MFCD00001821
UNSPSC Code:
12352103
PubChem Substance ID:
24853474
NACRES:
NA.23

Assay

95%

form

liquid crystal

impurities

5% 4-bromobiphenyl

mp

85-87 °C (lit.)

SMILES string

N#Cc1ccc(cc1)-c2ccccc2

InChI

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

InChI key

BPMBNLJJRKCCRT-UHFFFAOYSA-N

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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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