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2′-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl - ≥97%, high purity , CAS No.1000171-05-0
Basic Description
Synonyms
2'-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl, 97% | Phosphine, dicyclohexyl(2',4',6'-trimethoxy[1,1'-biphenyl]-2-yl)- | J-000007 | Dicyclohexyl(2',4',6'-trimethoxy[1,1'-biphenyl]-2-yl)phosphane | dicyclohexyl-[2-(2,4,6-trimethoxyphenyl)phenyl]phospha
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic phosphines and derivatives Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Phosphine - Ether - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504769721
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769721
IUPAC Name
dicyclohexyl-[2-(2,4,6-trimethoxyphenyl)phenyl]phosphane
INCHI
InChI=1S/C27H37O3P/c1-28-20-18-24(29-2)27(25(19-20)30-3)23-16-10-11-17-26(23)31(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22H,4-9,12-15H2,1-3H3
InChIKey
NTHFAYYJLKWDAE-UHFFFAOYSA-N
Smiles
COC1=CC(=C(C(=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)OC
Isomeric SMILES
COC1=CC(=C(C(=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)OC
WGK Germany
2
Molecular Weight
440.55
Reaxy-Rn
15645545
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15645545&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
148-158° C
Molecular Weight
440.600 g/mol
XLogP3
6.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
7
Exact Mass
440.248 Da
Monoisotopic Mass
440.248 Da
Topological Polar Surface Area
27.700 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
485.000
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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I2224208