Basic information
- Name:
Ferrocenecarboxaldehyde
- CAS No.:
12093-10-6
- Molecular Structure:
- Formula:
- C11H10FeO
- Molecular Weight:
- 214.04
- Synonyms:
- Ferrocenecarboxaldehyde(8CI);Iron, cyclopentadienyl(formylcyclopentadienyl)- (6CI,7CI);1-Formylferrocene;2-Ferrocenecarboxaldehyde;Cyclopentadienecarboxaldehyde,cyclopentadienyliron deriv.;Ferrocene-1-carboxaldehyde;Ferrocenecarbaldehyde;Ferrocenylcarbaldehyde;Ferrocene, formyl-;Formyldicyclopentadienyliron;Formylferrocene;NSC 407052;
- EINECS:
- 235-158-1
- Melting Point:
- 118-120 °C(lit.)
- Boiling Point:
- 213.6 °C at 760 mmHg
- Flash Point:
- 98.8 °C
- Solubility:
- insoluble
- Appearance:
- crystalline solid
- Safety Description:
- 22-24/25 Details
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Chemistry
Molecule structure of Ferrocenecarboxaldehyde (CAS NO.12093-10-6):
IUPAC Name: Cyclopenta-1,3-diene; cyclopenta-2,4-dien-1-ylidenemethanolate; iron(2+)
Molecular Weight: 214.0415 g/mol
Molecular Formula: C11H10FeO
Melting Point: 118-120 °C(lit.)
Flash Point: 98.8 °C
Enthalpy of Vaporization: 52.33 kJ/mol
Boiling Point: 213.6 °C at 760 mmHg
Vapour Pressure: 0.036 mmHg at 25 °C
Water Solubility: insoluble
Stability: Stable. Incompatible with strong oxidizing agents.
H-Bond Acceptor: 2
Exact Mass: 214.008107
MonoIsotopic Mass: 214.008107
Topological Polar Surface Area: 23.1
Heavy Atom Count: 13
Canonical SMILES: [CH-]1C=CC=C1.C1=CC(=C[O-])C=C1.[Fe+2]
InChI: InChI=1S/C6H6O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5,7H;1-5H;/q;-1;+2/p-1
InChIKey: HEWFKXVSWQSSAT-UHFFFAOYSA-M
EINECS: 235-158-1
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Ferrocene series
Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Specification
Ferrocenecarboxaldehyde (CAS NO.12093-10-6) is also named as 2-Ferrocenecarboxaldehyde ; Cyclopentadienecarboxaldehyde, cyclopentadienyliron deriv. ; Ferrocene, formyl- ; Ferrocenealdehyde ; Ferrocenecarbaldehyde ; Formyldicyclopentadienyliron ; Formylferrocene ; Iron, pi-cyclopentadienyl(formyl-pi-cyclopentadienyl)- ; NSC 407052 . Ferrocenecarboxaldehyde (CAS NO.12093-10-6) is crystalline solid.