1,1-Bis(diphenylphosphino)ferrocene

CAS Registry Number®

12150-46-8

CAS Name

1,1-Bis(diphenylphosphino)ferrocene

Molecular Formula

C34H28FeP2

Cite this Page

1,1-Bis(diphenylphosphino)ferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12150-46-8 (retrieved 2024-11-29) (CAS RN: 12150-46-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-184 °C

Source(s)

  • (1) Metal-Organics Catalog physical property data were obtained from Gelest, Inc. of Morrisville, Pennsylvania (US)

Other Names and Identifiers

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

InChIKey

InChIKey=KZPYGQFFRCFCPP-UHFFFAOYSA-N

SMILES

P([C-]12[Fe+2]3456789([C-]%10(P(C%11=CC=CC=C%11)C%12=CC=CC=C%12)[CH]3=[CH]4[CH]5=[CH]6%10)[CH]1=[CH]7[CH]8=[CH]92)(C%13=CC=CC=C%13)C%14=CC=CC=C%14

Canonical SMILES

C=1C=CC(=CC1)P(C=2C=CC=CC2)[C-]34[CH]5=[CH]6[CH]7=[CH]3[Fe+2]6789%10%1154[CH]=%12[CH]%11=[CH]%10[C-]9(P(C=%13C=CC=CC%13)C=%14C=CC=CC%14)[CH]%128

Other Names for this Substance

  • Ferrocene, 1,1′-bis(diphenylphosphino)-
  • Phosphine, 1,1′-ferrocenediylbis[diphenyl-
  • Phosphine, cyclopentadienyldiphenyl-, iron deriv.
  • 1,1′-Bis(diphenylphosphino)ferrocene
  • DPPF

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