chempirical

(1,3-Bis(diphenylphosphino)propane)palladium(II) chloride

C27H26Cl2P2PdCAS 59831-02-6589.77 g/mol

Open in Covalent MOL file
PPClPdCl
Phosphine

Properties

Molecular formula
C27H26Cl2P2Pd
Molar mass
589.77 g/mol
Exact mass
587.9922 Da
logP
7.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

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
59831-02-6
SMILES
C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pd]Cl
InChIKey
LDFBXJODFADZBN-UHFFFAOYSA-L
InChI
InChI=1S/C27H26P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2

Weigh it out

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Names and synonyms

1 names
  • Dichloro[1,3-bis(diphenylphosphino)propane]palladium(II)

Work with (1,3-Bis(diphenylphosphino)propane)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.

1,3-Bis(diphenylphosphino)propane6737-42-4Parent compound

Similar compounds

1,4-Bis(diphenylphosphino)butane-palladium(II) chloride29964-62-392 % similar [1,2-Bis(diphenylphosphino)ethane]dichloropalladium(II)19978-61-183 % similar 1,4-Bis(diphenylphosphino)butane7688-25-767 % similar 1,6-Bis(diphenylphosphino)hexane19845-69-364 % similar 1,5-Bis(diphenylphosphino)pentane27721-02-464 % similar Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel15629-92-259 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-258 % 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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