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4′-Octyl-4-biphenylcarbonitrile - liquid crystal (nematic), 98%, high purity , CAS No.52709-84-9

COA

Grade & Purity:

≥98%
liquid crystal (nematic)

Cas Number: 52709-84-9
Molecular Weight: 291.43
EC Number: 258-120-6
MDL number: MFCD00075146
PubChem CID: 104289

In stock

Item Number

O485542

Grouped product items
SKU	Size	Availability	Price	Qty
O485542-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90

Basic Description

Synonyms	K-24 \| [1,1'-Biphenyl]-4-carbonitrile, 4'-octyl- \| 4-(4-octylphenyl)benzonitrile \| MFCD00075146 \| 4'-n-Octyl-4-biphenylcarbonitrile \| 4-n-octyl-4'-cyanobiphenyl \| 4'-Octyl[1,1'-biphenyl]-4-carbonitrile # \| EINECS 258-120-6 \| NSC6254 \| SCHEMBL1325933 \| FT-
Specifications & Purity	≥98%, liquid crystal (nematic)
Product Description	4′-octyl-4-biphenylcarbonitrile (8CB) is a low molar mass liquid crystal (LC), which shows different liquid crystalline phases depending on temperature conditions. Under normal temperature conditions 8CB exists only as a bulk smectic-A phase. LCs are responsive to subtle changes in temperature, shear, electric (or magnetic) fields, and the structure of solid surfaces with which they are in contact.Monolayer films of the LCs deposited onto highly ordered pyrolytic graphite, these self-assembled films display a wide variety of structural forms.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenylcarbonitriles
Alternative Parents	Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenylcarbonitrile - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-(4-octylphenyl)benzonitrile
INCHI	InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3
InChIKey	CSQPODPWWMOTIY-UHFFFAOYSA-N
Smiles	CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Isomeric SMILES	CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
WGK Germany	3
Molecular Weight	291.43
Reaxy-Rn	1913854
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913854&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	>110℃(230°F)
Flash Point(°C)	>110℃(230°F)
Boil Point(°C)	218 °C
Melt Point(°C)	20-22°C
Molecular Weight	291.400 g/mol
XLogP3	7.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	291.199 Da
Monoisotopic Mass	291.199 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	323.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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