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4-Cyanobiphenyl | CAS Number: 2920-38-9

Catalog Number
ACM2920389
Product Name
4-Cyanobiphenyl
Structure
CAS Number
2920-38-9
EC Number
220-860-2
IUPAC Name
4-phenylbenzonitrile
Synonyms
P-PHENYLBENZONITRILE;4-Biphenylcarboxylic acid nitrile;4-Cyanobiphenly;p-Cyanobiphenyl;4-BIPHENYLCARBONITRILE;4-DIPHENYLCARBONITRILE;4-CYANODIPHENYL;4-CYANOBIPHENYL
Molecular Weight
179.22
Exact Mass
179.07300
Molecular Formula
C13H9N
Boiling Point
193ºC 20mm
Melting Point
85-87ºC
Flash Point
155.5ºC
Density
1.11 g/cm3
Purity
95+%
Appearance
beige crystalline powder
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChIKey
BPMBNLJJRKCCRT-UHFFFAOYSA-N
H-Bond Donor
0
H-Bond Acceptor
1
Safty Description
S22-S26-S36/37/39
Hazard Statements
Xn:Harmful;
WGK Germany
3
Packing Group
III
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1Simulation insights into the role of antiparallel molecular association in the formation of smectic A phases.

Walker M1, Wilson MR1.

Soft Matter. 2016 Nov 4;12(43):8876-8883.

A simple dissipative particle dynamics (DPD) model is introduced, which can be used to represent a broad range of calamitic mesogens. The model allows for antiparallel association that occurs naturally in a number of mesogens with terminal dipoles, including the 4-n-alkyl-4'-cyanobiphenyl (nCB) series. Favourable antiparallel interactions lead to the formation of SmAd phases in which the layer spacing is intermediate between monolayer and bilayer. Read More

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Tel:1-201-478-8534
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