Benzoylferrocene , 98% , 1272-44-2

Synonym(s):
(Benzoylcyclopentadienyl)cyclopentadienyliron;Ferrecenophenone;Ferrocenyl phenyl ketone;Ferrocenyl(phenyl)methanone;NSC 54800

CAS NO.：1272-44-2

Empirical Formula: C17H14FeO10*

Molecular Weight: 290.14

MDL number: MFCD00001431

EINECS: 215-054-2

PRODUCT Properties

• Melting point: 105-107 °C(lit.)
• Density: 1.507 g/cm3
• Water Solubility: Insoluble in water
• form: solid
• color: Orange to Brown
• Exposure limits: ACGIH: TWA 1 mg/m3; NIOSH: TWA 1 mg/m3
• InChI: InChI=1S/C12H9O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-5H
• InChIKey: JJHHJZCYDPLHIL-UHFFFAOYSA-N
• SMILES: [C]1([CH][CH][CH][CH]1)C(=O)C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:0,1,2,3,4,13,14,15,16,17|
• CAS DataBase Reference: 1272-44-2(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoylferrocene(1272-44-2)
• EPA Substance Registry System: Ferrocene, benzoyl- (1272-44-2)

Description and Uses

Reactant for:

• Deprotonative metalation of ferrocenes
• Oxidative chemistry
• Reduction of ferrocenyl ketones
• Polymerization of C-ferrocenyl-substituted phosphaalkene

Reactant for synthesis of:

• Planat chiral triferrocenylmethane derivative
• Chiral ferrocenyl alcohols via asymmetric transfer hydrogenation

Safety

• Hazard Codes: Xn
• Risk Statements: 22-36/37/38
• Safety Statements: 24/25-37/39-26
• WGK Germany: 3
• TSCA: Yes
• HS Code: 29319090