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(1-Oxobutyl)ferrocene

(1-Oxobutyl)ferrocene structure

CAS No:
1271-94-9
Formula:
C14H16FeO
Chemical Name:
(1-Oxobutyl)ferrocene
Synonyms:
Ferrocene,(1-oxobutyl)-;1-Butanone,1-ferrocenyl-;Iron,(butyrylcyclopentadienyl)cyclopentadienyl-;(1-Oxobutyl)ferrocene;1-Butanone,1-(cyclopentadienyl)-,cyclopentadienyliron deriv.;Butyrylferrocene;Butyryldicyclopentadienyliron;Butanoyl ferrocene;n-Butyrylferrocene
Categories:
Organic Chemistry > Organometallic Compounds

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Description

red-brown powder or needle-like crystals

(1-Oxobutyl)ferrocene Basic Attributes

Molecular Weight：

256.12

Exact Mass：

256.055054

EC Number：

215-045-3

Characteristics

PSA：

17.07000

XLogP3：

2.77990

Appearance：

dark orange liquid

Density：

1.254 g/mL at 25 °C(lit.)

Melting Point：

36 °C

Boiling Point：

120-122 °C @ Press: 0.25 Torr

Flash Point：

>230 °F

Safety Information

wgk germany：

safety instructions：

24/25

Computed Properties

Molecular Weight:256.12
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:256.055051
Monoisotopic Mass:256.055051
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:176
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes