1,1′-Dibutylferrocene

CAS Registry Number®

1274-08-4
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CAS Name

1,1′-Dibutylferrocene

Molecular Formula

C18H26Fe

Cite this Page

1,1′-Dibutylferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1274-08-4 (retrieved 2024-09-06) (CAS RN: 1274-08-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    155-157 °C @ Press: 3.5 Torr

  • Density (1)

    1.1432 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/2C9H13.Fe/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;/q2*-1;+2

InChIKey

InChIKey=FJUFINOZWSTZEZ-UHFFFAOYSA-N

SMILES

C(CCC)[C-]12[Fe+2]3456789([C-]%10(CCCC)[CH]3=[CH]4[CH]5=[CH]6%10)[CH]1=[CH]7[CH]8=[CH]92

Canonical SMILES

CCCC[C-]12[CH]3=[CH]4[CH]5=[CH]1[Fe+2]45678932[CH]=%10[CH]9=[CH]8[C-]7(CCCC)[CH]%106

Other Names for this Substance

  • Ferrocene, 1,1′-dibutyl-
  • Iron, bis(butylcyclopentadienyl)-
  • 1,1′-Dibutylferrocene
  • Bis(n-butylcyclopentadienyl)iron
  • 1,1′-Di-n-butylferrocene