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4′-Octyl-4-biphenylcarbonitrile - 99%, high purity , CAS No.52709-84-9

COA

Grade & Purity:

≥99%

Cas Number: 52709-84-9
Molecular Weight: 291.43
EC Number: 258-120-6
MDL number: MFCD00075146
PubChem CID: 104289
PubChem SID: 488187353

In stock

Item Number

O124117

Grouped product items
SKU	Size	Availability	Price
O124117-1g	1g	2	$41.90
O124117-5g	5g	4	$157.90
O124117-25g	25g	5	$548.90

View related series

Cyano biphenyls and analogues (26) Nematic liquid crystal (96)

Basic Description

Synonyms	8CB \| 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
Specifications & Purity	≥99%
Shipped In	Normal

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

Pubchem Sid	488187353
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187353
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:

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9 results found

Lot Number	Certificate Type	Date	Item
G1712022	Certificate of Analysis	Feb 08, 2025	O124117
L2209985	Certificate of Analysis	Aug 19, 2022	O124117
L2209986	Certificate of Analysis	Aug 19, 2022	O124117
L2209989	Certificate of Analysis	Aug 19, 2022	O124117
L2209957	Certificate of Analysis	Aug 19, 2022	O124117
L2209956	Certificate of Analysis	Aug 19, 2022	O124117
J2229376	Certificate of Analysis	Jul 01, 2022	O124117
J2229379	Certificate of Analysis	Jul 01, 2022	O124117
J2229377	Certificate of Analysis	Jul 01, 2022	O124117

Chemical and Physical Properties

Solubility	Insoluble in water.
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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