1,1′-Bis(diphenylphosphino)ferrocene

C34H28FeP2CAS 12150-46-8554.39 g/mol

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Fe2+PHC−PHC−
Phosphine

Properties

Molecular formula
C34H28FeP2
Molar mass
554.39 g/mol
Exact mass
554.1016 Da
Melting point
180–184 °C
logP
6.32Crippen estimate
Polar surface area
0.0 Ų
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.

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Identifiers

CAS number
12150-46-8
SMILES
[Fe+2].c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1.c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1
InChIKey
KZPYGQFFRCFCPP-UHFFFAOYSA-N
InChI
InChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q2*-1;+2

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Names and synonyms

10 names
  • 1,1'-Bis(diphenylphosphino)ferrocene
  • Ferrocene, 1,1′-bis(diphenylphosphino)-
  • Phosphine, 1,1′-ferrocenediylbis[diphenyl-
  • Phosphine, cyclopentadienyldiphenyl-, iron deriv.
  • DPPF
  • 1,1′-Ferrocendiylbis(diphenylphosphine)
  • NSC 238923
  • 1,1-Bis(diphenylphosphino)ferrocene
  • 1,10-Bis(diphenylphosphanyl)ferrocene
  • Zirconium ionophore I

Work with 1,1′-Bis(diphenylphosphino)ferrocene

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.

Dichloro[ferrocene-1,1′-diylbis(diphenylphosphine-P)]cobalt(II)67292-36-8Salt

Similar compounds

(1,1'-Bis(diphenylphosphino)ferrocene)palladium(II) dichloride72287-26-480 % similar Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct95464-05-467 % similar Palladium, [1,1′-bis(diphenylphosphino-κP)ferrocene]dichloro-, (SP-4-2)-, compd. with 2-propanone (1:1)851232-71-862 % similar 1,1'-Bis(di-tert-butylphosphino)ferrocene84680-95-548 % similar Triphenylphosphine603-35-044 % similar 1,4-Bis(diphenylphosphino)benzene1179-06-242 % similar (SP-4-2)-[1,1′-Bis[bis(1-methylethyl)phosphino-κP]ferrocene]dichloropalladium215788-65-141 % similar 1,2-Bis(diphenylphosphino)benzene13991-08-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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