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Benzoylferrocene

Benzoylferrocene structure

CAS No:
1272-44-2
Formula:
C17H14FeO
Chemical Name:
Benzoylferrocene
Synonyms:
Ferrocene,benzoyl-;Ketone,ferrocenyl phenyl;Iron,(benzoylcyclopentadienyl)cyclopentadienyl-;Benzoylferrocene;Monobenzoylferrocene;Methanone,ferrocenylphenyl-;Ferrecenophenone;Benzoyldicyclopentadienyliron;Ferrocenyl phenyl ketone;1-Benzoylferrocene;Ferrocenyl(phenyl)methanone;NSC 54800;Phenyl ferrocenyl ketone;36344-08-8;38960-44-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

red to red-brown powder

Benzoylferrocene Basic Attributes

Molecular Weight：

290.14

Exact Mass：

290.039398

HScode：

29319090

Characteristics

PSA：

17.07000

XLogP3：

3.29360

Appearance：

red to brown crystals

Density：

1.507 g/cm³

Melting Point：

108-109 °C @ Solvent: Hexane

Boiling Point：

293.1ºC at 760 mmHg

Flash Point：

124ºC

Refractive Index：

1.597

Vapor Pressure：

0.00311mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

24/25-37/39-26

Marks：

Benzoylferrocene Use and Manufacturing

Intermediate.

Computed Properties

Molecular Weight:290.14
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:290.039401
Monoisotopic Mass:290.039401
Topological Polar Surface Area:17.1
Heavy Atom Count:19
Complexity:242
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes