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Key Documents

225460

Sigma-Aldrich

Diironnonacarbonyl

98%

Synonym(s):

Enneacarbonyldiiron, Iron enneacarbonyl, Nonacarbonyldiiron

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About This Item

Linear Formula:
Fe2(CO)9
CAS Number:
Molecular Weight:
363.78
EC Number:
MDL number:
UNSPSC Code:
12161600
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

solid

reaction suitability

core: iron
reagent type: catalyst

storage temp.

2-8°C

SMILES string

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].O=C1[Fe]2C(=O)[Fe]1C2=O

InChI

1S/9CO.2Fe/c9*1-2;;

InChI key

JCXLZXJCZPKTBW-UHFFFAOYSA-N

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Application

Reacts with phenylsilanes to give triply bridged diiron complexes.

Pictograms

FlameSkull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Sol. 2 - Water-react 2

Storage Class Code

4.3 - Hazardous materials which set free flammable gases upon contact with water

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Gree, R.
Synthesis, 341-341 (1989)
Kerber, R. C. et al.R. C.; Ribakove, E. C.
Organometallic News, 10, 2848-2848 (1991)
Simons, R.S. Tessier, C.A.
Organometallics, 15, 2604-2604 (1996)
Crump, S. L.; Netka, J.; Rickborn, B.
The Journal of Organic Chemistry, 50, 2746-2746 (1985)
Luca Bertini et al.
The journal of physical chemistry. A, 111(48), 12152-12162 (2007-11-09)
The singlet and triplet state potential energy surfaces (PES) of Fe2(CO)8 are explored by means of density functional theory (DFT) techniques. The two PES have different global mimima: the dibriged C(2v) isomer for the singlet and the unbridged D(2d) isomer

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