1-Ferrocenylethanol

CAS Registry Number®

1277-49-2

CAS Name

1-Ferrocenylethanol

Molecular Formula

C12H14FeO

Cite this Page

1-Ferrocenylethanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1277-49-2 (retrieved 2024-12-02) (CAS RN: 1277-49-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    78-79 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H9O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-6,8H,1H3;1-5H;/q2*-1;+2

InChIKey

InChIKey=YDZCBKCOBVVHFT-UHFFFAOYSA-N

SMILES

C(C)(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

OC(C)[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-hydroxyethyl)-
  • Ferrocenemethanol, α-methyl-
  • Iron, cyclopentadienyl[(1-hydroxyethyl)cyclopentadienyl]-
  • Ethanol, 1-ferrocenyl-
  • 1-Ferrocenylethanol

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Deleted or Replaced CAS Registry Numbers

1271-65-4, 34889-18-4

CAS INSIGHTSTM
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