1,1′′-Biferrocene

CAS Registry Number®

1287-38-3

CAS Name

1,1′′-Biferrocene

Molecular Formula

C20H18Fe2

Cite this Page

1,1′′-Biferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1287-38-3 (retrieved 2024-12-04) (CAS RN: 1287-38-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-230 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H8.2C5H5.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-2-4-5-3-1;;/h1-8H;2*1-5H;;/q-2;2*-1;2*+2

InChIKey

InChIKey=NGZFPJPVAGWPQH-UHFFFAOYSA-N

SMILES

[Fe+2]12345678([C-]9([CH]1=[CH]2[CH]3=[CH]49)[C-]%10%11[Fe+2]%12%13%14%15%16%17%18([CH]%10=[CH]%12[CH]%13=[CH]%11%14)[CH-]%19[CH]%15=[CH]%16[CH]%17=[CH]%18%19)[CH-]%20[CH]5=[CH]6[CH]7=[CH]8%20

Canonical SMILES

[CH]=12[CH]3=[CH]4[CH-]5[CH]1[Fe+2]23678945[CH]=%10[CH]9=[CH]8[C-]7([CH]%106)[C-]%11%12[CH]%13=[CH]%14[CH]%15=[CH]%11[Fe+2]%16%17%18%19%14%15%13%12[CH]=%20[CH]%19=[CH]%18[CH-]%17[CH]%20%16

Other Names for this Substance

  • 1,1′′-Biferrocene
  • Iron, ([bicyclopentadienyl]diyl)bis[cyclopentadienyl-
  • Iron, bicyclopentadienylenebis[cyclopentadienyl-
  • Iron, [μ-(η10-[bicyclo-2,4-pentadien-1-yl]-1,1′-diyl)]bis(η5-2,4-cyclopentadienyl)di-
  • Ferrocene, ferrocenyl-

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Deleted or Replaced CAS Registry Numbers

141054-20-8, 70244-04-1

CAS INSIGHTSTM
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