Butylferrocene
CAS Registry Number®
31904-29-7
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CAS Name
ButylferroceneMolecular Formula
C14H18FeCite this Page
Butylferrocene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=31904-29-7 (retrieved ) (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 TorrDensity (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
