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4'-Cyano-4-dodecyloxybiphenyl - >98.0%, high purity , CAS No.57125-50-5

COA

Grade & Purity:

≥98%

Cas Number: 57125-50-5
Molecular Weight: 363.55
MDL number: MFCD01941019
PubChem CID: 92674
PubChem SID: 488186715

In stock

Item Number

C153937

Grouped product items
SKU	Size	Availability	Price
C153937-200mg	200mg	≥10	$44.90
C153937-1g	1g	10	$170.90
C153937-5g	5g	9	$506.90
C153937-25g	25g	2	$2,278.90

View related series

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

Basic Description

Synonyms	4'-Cyano-4-dodecyloxybiphenyl, >/=98% \| 4'-(Dodecyloxy)(1,1'-biphenyl)-4-carbonitrile \| 4-(4-dodecoxyphenyl)benzonitrile \| SCHEMBL1893734 \| T71076 \| 4'-Cyano-4-dodecyloxybiphenyl \| 4-cyano-4'-dodecyloxybiphenyl \| MFCD01941019 \| AS-77296 \| C3270 \| 12OCB \|
Specifications & Purity	≥98%
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	Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenylcarbonitrile - Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - 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	488186715
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186715
IUPAC Name	4-(4-dodecoxyphenyl)benzonitrile
INCHI	InChI=1S/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-20-27-25-18-16-24(17-19-25)23-14-12-22(21-26)13-15-23/h12-19H,2-11,20H2,1H3
InChIKey	WYSZDBDWXPAHDS-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Isomeric SMILES	CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Molecular Weight	363.55
Reaxy-Rn	2874867
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2874867&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
J1923153	Certificate of Analysis	Aug 04, 2023	C153937
A2309461	Certificate of Analysis	Jan 17, 2023	C153937
A2309460	Certificate of Analysis	Jan 13, 2023	C153937
L2215999	Certificate of Analysis	Dec 29, 2022	C153937
K2216336	Certificate of Analysis	Oct 24, 2022	C153937
K2216338	Certificate of Analysis	Oct 24, 2022	C153937
K2216339	Certificate of Analysis	Oct 24, 2022	C153937
K2216378	Certificate of Analysis	Oct 24, 2022	C153937
K2216341	Certificate of Analysis	Oct 24, 2022	C153937
A2316118	Certificate of Analysis	Oct 24, 2022	C153937

Chemical and Physical Properties

Solubility	Soluble in Toluene
Molecular Weight	363.500 g/mol
XLogP3	8.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Exact Mass	363.256 Da
Monoisotopic Mass	363.256 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	396.000
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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