chempirical

(Sp-4-2)-[1,1′-bis[bis(1-methylethyl)phosphino-κP]ferrocene]dichloropalladium

C22H36Cl2FeP2PdCAS 215788-65-1595.64 g/mol

Open in Covalent MOL file
PHC−PHC−Cl−Cl−Fe2+Pd2+
Phosphine

Properties

Molecular formula
C22H36Cl2FeP2Pd
Molar mass
595.64 g/mol
Exact mass
594.0053 Da
logP
0.66Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
215788-65-1
SMILES
CC(C)P(c1ccc[cH-]1)C(C)C.CC(C)P(c1ccc[cH-]1)C(C)C.[Cl-].[Cl-].[Fe+2].[Pd+2]
InChIKey
RHVVTGGRURQJSR-UHFFFAOYSA-L
InChI
InChI=1S/2C11H18P.2ClH.Fe.Pd/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;;;/h2*5-10H,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Palladium, [1,1′-bis[bis(1-methylethyl)phosphino-κP]ferrocene]dichloro-, (SP-4-2)-
  • Dichloro[Ferrocene-1,1′-diylbis(diisopropylphosphine-P)]palladium(II)
  • (1,1′-Bis(diisopropylphosphino)ferrocene)dichloropalladium
  • Dichloro(1,1′-bis(diisopropylphosphino)ferrocene)palladium
  • 1,1′-Bis(di-isopropylphosphino)ferrocene palladium dichloride

Work with (Sp-4-2)-[1,1′-bis[bis(1-methylethyl)phosphino-κP]ferrocene]dichloropalladium

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

Similar compounds

(1,1'-Bis(diphenylphosphino)ferrocene)palladium(II) dichloride72287-26-456 % similar Palladium, [1,1′-bis(diphenylphosphino-κP)ferrocene]dichloro-, (sp-4-2)-, compd. with 2-propanone (1:1)851232-71-849 % similar Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct95464-05-449 % similar Dichloro[ferrocene-1,1′-diylbis(diphenylphosphine-P)]cobalt(II)67292-36-845 % similar 1,1'-Bis(diphenylphosphino)ferrocene12150-46-841 % similar 1,1′-Dimethylferrocene1291-47-035 % similar [(1S)-1-(Dimethylamino)ethyl]ferrocene31886-57-435 % similar [(1R)-1-(Dimethylamino)ethyl]ferrocene31886-58-535 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook