Benzoylferrocene Chemical 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)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38

Safety Statements 

24/25-37/39-26

WGK Germany 

3

TSCA 

Yes

HS Code 

29319090

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Benzoylferrocene Usage And Synthesis

Chemical Properties

red to red-brown powder

Uses

Intermediate.

Uses

Reactant for:

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

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

Hazard

Possibly toxic.

reaction suitability

core: iron
reagent type: catalyst

Benzoylferrocene(1272-44-2)Related Product Information

• Ferrocenecarboxylic acid
• ETHYNYLFERROCENE
• Acetylferrocene
• Aminoferrocene
• Ferrocene
• 3-METHYL-2-PENTANONE
• Valerophenone
• ETHYLCYCLOPENTANE
• Isobutyrophenone
• Butyrophenone
• Isobutylbenzene
• Hexanophenone
• CYCLOPENTYL PHENYL KETONE
• 1,1'-DIBENZOYLFERROCENE
• Ferrocenecarboxaldehyde
• 2-Heptanone
• 1-CYCLOPENTYL-ETHANONE
• Methylcyclopentane