chempirical

1,4-Bis(diphenylphosphino)butane-palladium(II) chloride

C28H28Cl2P2PdCAS 29964-62-3603.80 g/mol

Open in Covalent MOL file
PPClPdCl
Phosphine

Properties

Molecular formula
C28H28Cl2P2Pd
Molar mass
603.80 g/mol
Exact mass
602.0078 Da
logP
7.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
29964-62-3
SMILES
C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pd]Cl
InChIKey
JQXJBXVWVPVTOO-UHFFFAOYSA-L
InChI
InChI=1S/C28H28P2.2ClH.Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;;;/h1-12,15-22H,13-14,23-24H2;2*1H;/q;;;+2/p-2

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Work with 1,4-Bis(diphenylphosphino)butane-palladium(II) chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,4-Bis(diphenylphosphino)butane7688-25-7Parent compound

Similar compounds

(1,3-Bis(diphenylphosphino)propane)palladium(II) chloride59831-02-692 % similar [1,2-Bis(diphenylphosphino)ethane]dichloropalladium(II)19978-61-183 % similar 1,6-Bis(diphenylphosphino)hexane19845-69-371 % similar 1,5-Bis(diphenylphosphino)pentane27721-02-471 % similar 1,3-Bis(diphenylphosphino)propane6737-42-467 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-258 % similar Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel15629-92-253 % similar Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)31277-98-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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