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Dichlorobis(di-tert-butylphenylphosphine)palladium(II) - 99.95% metals basis, high purity , CAS No.34409-44-4
Basic Description
Synonyms
dichlorobis(di-tert-butylphenylphosphine)palladium(ii) | Dichlorobis(di-t-butylphenylphosphino)palladium(II), 99% | SY067594 | QNNRAWADYXIGHE-UHFFFAOYSA-L | SCHEMBL1304876 | Dichlorobis(di-tert-butylphenylphosphine)palladium(II), 95% | AKOS027251097 | A87
Specifications & Purity
≥99.95% metals basis
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.
Product Description
Catalyst for cross-coupling reactions
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Organic phosphines and derivatives Organic transition metal salts Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Monocyclic benzene moiety - Phosphine - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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
504771431
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771431
IUPAC Name
ditert-butyl(phenyl)phosphane;dichloropalladium
INCHI
InChI=1S/2C14H23P.2ClH.Pd/c2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;;;/h2*7-11H,1-6H3;2*1H;/q;;;;+2/p-2
InChIKey
QNNRAWADYXIGHE-UHFFFAOYSA-L
Smiles
CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.Cl[Pd]Cl
Isomeric SMILES
CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.Cl[Pd]Cl
WGK Germany
3
PubChem CID
56649816
Molecular Weight
621.94
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air & Moisture Sensitive
Melt Point(°C)
260-264°C
Molecular Weight
621.900 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
6
Exact Mass
620.149 Da
Monoisotopic Mass
620.149 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
177.000
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
3
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A2305124