(1-Oxobutyl)ferrocene

CAS Registry Number®

1271-94-9

CAS Name

(1-Oxobutyl)ferrocene

Molecular Formula

C14H16FeO

Cite this Page

(1-Oxobutyl)ferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1271-94-9 (retrieved 2024-11-21) (CAS RN: 1271-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120-122 °C @ Press: 0.25 Torr

  • Melting Point (2)

    36 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H11O.C5H5.Fe/c1-2-5-9(10)8-6-3-4-7-8;1-2-4-5-3-1;/h3-4,6-7H,2,5H2,1H3;1-5H;/q2*-1;+2

InChIKey

InChIKey=LXGKRVAPVVIDQW-UHFFFAOYSA-N

SMILES

C(CCC)(=O)[C-]12[Fe+2]3456789([CH]1=[CH]3[CH]4=[CH]52)[CH-]%10[CH]6=[CH]7[CH]8=[CH]9%10

Canonical SMILES

O=C(CCC)[C-]12[CH]3=[CH]4[CH]5=[CH]1[Fe+2]67894532[CH]=%10[CH]9=[CH]8[CH-]7[CH]%106

Other Names for this Substance

  • Ferrocene, (1-oxobutyl)-
  • 1-Butanone, 1-ferrocenyl-
  • Iron, (butyrylcyclopentadienyl)cyclopentadienyl-
  • (1-Oxobutyl)ferrocene
  • 1-Butanone, 1-(cyclopentadienyl)-, cyclopentadienyliron deriv.

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration