Acetylferrocene
Properties
- Molecular formula
- C12H12FeO
- Molar mass
- 228.07 g/mol
- Exact mass
- 228.0238 Da
- Melting point
- 85 °C
- logP
- 3.01Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H300 Fatal if swallowed97.6% of notifiers
- H310 Fatal in contact with skin34.5% of notifiers
- H311 Toxic in contact with skin11.9% of notifiers
- H330 Fatal if inhaled33.3% of notifiers
- H400 Very toxic to aquatic life33.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects35.7% of notifiers
Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
1271-55-2SMILES
CC(=O)[c-]1cccc1.[Fe+2].c1cc[cH-]c1InChIKey
SPKJCVZOZISLEI-UHFFFAOYSA-NInChI
InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Ferrocene, acetyl-
- Ketone, ferrocenyl methyl
- Iron, (acetylcyclopentadienyl)cyclopentadienyl-
- Ethanone, 1-ferrocenyl-
- Acetoferrocene
- Monoacetylferrocene
- 1-Acetylferrocene
- Ferrocenyl methyl ketone
- (η5-Acetylcyclopentadienyl)(η5-cyclopentadienyl)iron
- 1-Ferrocenylethanone
- NSC 115511
Work with Acetylferrocene
Similar compounds
1,1′-Diacetylferrocene1273-94-577 % similar
Ferrocenecarboxaldehyde12093-10-644 % similar
Ferrocene102-54-542 % similar
Ferrocenecarboxylic acid1271-42-734 % similar
Benzoylferrocene1272-44-233 % similar
Ferroceneacetic acid1287-16-732 % similar
Ferroceneboronic acid12152-94-231 % similar
Ethylferrocene1273-89-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.