Butylferrocene

CAS Registry Number®

31904-29-7

CAS Name

Butylferrocene

Molecular Formula

C14H18Fe

Cite this Page

Butylferrocene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31904-29-7 (retrieved 2024-11-22) (CAS RN: 31904-29-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    108 °C @ Press: 3.5 Torr

  • Density (1)

    1.1859 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H13.C5H5.Fe/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;/h4-5,7-8H,2-3,6H2,1H3;1-5H;/q2*-1;+2

InChIKey

InChIKey=WFUDBPZFGCNRDM-UHFFFAOYSA-N

SMILES

C(CCC)[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

CCCC[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, butyl-
  • Iron, (butylcyclopentadienyl)cyclopentadienyl-
  • Butylferrocene
  • n-Butylferrocene
  • n-Butylcyclopentadienyl(cyclopentadienyl)iron

Deleted or Replaced CAS Registry Numbers

1273-96-7, 38743-37-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration