Dichlorobis(tri-O-tolylphosphine)palladium(II)

C₄₂H₄₂Cl₂P₂PdCAS 40691-33-6786.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄₂H₄₂Cl₂P₂Pd
Molar mass: 786.07 g/mol
Exact mass: 784.1174 Da
logP: 10.12Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

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

40691-33-6

SMILES

CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.Cl[Pd]Cl

InChIKey

OTYPIDNRISCWQY-UHFFFAOYSA-L

InChI

InChI=1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2

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Names and synonyms

1 names

Bis(tri-o-tolylphosphine)palladium(II) Dichloride

Work with Dichlorobis(tri-O-tolylphosphine)palladium(II)

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.

Tris(o-tolyl)phosphine6163-58-2Parent compound

Similar compounds

Bis[tris(2-methylphenyl)phosphine]palladium69861-71-865 % similar 2-Chlorotoluene95-49-843 % similar O-Xylene95-47-642 % similar (2'-Methyl-[1,1'-biphenyl]-2-yl)diphenylphosphine402822-72-441 % similar 2-Bromotoluene95-46-539 % similar Tris(2,4-dimethylphenyl)phosphine49676-42-839 % similar Dichlorobis(di-tert-butylphenylphosphine)palladium(II)34409-44-438 % similar O-Toluidine95-53-438 % similar

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

Elsewhere

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