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Merck
CN

577766

Sigma-Aldrich

Molybdenum hexacarbonyl

≥99.9% trace metals basis (excluding W) purified by sublimation

Synonym(s):

Molybdenumhexacarbonyl, Hexacarbonylmolybdenum(0)

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About This Item

Linear Formula:
Mo(CO)6
CAS Number:
13939-06-5
Molecular Weight:
264.00
EC Number:
237-713-3
MDL number:
MFCD00003466
UNSPSC Code:
12352103
PubChem Substance ID:
24880893
NACRES:
NA.23

Key Documents

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vapor density

9.1 (vs air)

Quality Level

100

Assay

≥99.9% trace metals basis

form

solid
solid

purified by

sublimation

reaction suitability

core: molybdenum
reagent type: catalyst

bp

156 °C (lit.)

mp

150 °C (dec.) (lit.)

density

1.96 g/mL at 25 °C (lit.)

SMILES string

[Mo].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

InChI

1S/6CO.Mo/c6*1-2;

InChI key

KMKBZNSIJQWHJA-UHFFFAOYSA-N

General description

Atomic number of base material: 42 Molybdenum

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H331

Hazard Classifications

Acute Tox. 3 Inhalation

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

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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Certificates of Analysis (COA)

Lot/Batch Number
0000326139
0000326138
0000314639
0000314639
0000326139

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John Spencer
Future medicinal chemistry, 2(2), 161-168 (2011-03-24)
Microwave-mediated chemistry, involving the reduction of nitroarenes with molybdenum hexacarbonyl as a stoichiometric reducing agent, has been employed in the synthesis of a range of anilines. Many of these reactions exhibit high levels of chemoselectivity, tolerating unsaturation, steric hindrance and
Qingxi Meng et al.
Journal of molecular modeling, 18(8), 3489-3499 (2012-02-03)
Density functional theory (DFT) was used to investigate the Mo-catalyzed intramolecular Pauson-Khand reaction of 3-allyloxy-1-propynylphosphonates. All intermediates and transition states were optimized completely at the B3LYP/6-31 G(d,p) level [LANL2DZ(f) for Mo]. In the Mo-catalyzed intramolecular Pauson-Khand reaction, the C–C oxidative
Paul Nissenson et al.
Physical chemistry chemical physics : PCCP, 8(40), 4700-4710 (2006-10-19)
While there is increasing evidence for unique chemical reactions at interfaces, there are fewer data on photochemistry at liquid-vapor junctions. This paper reports a comparison of the photolysis of molybdenum hexacarbonyl, Mo(CO)(6), in 1-decene either as liquid droplets or in
In situ generation of carbon monoxide from solid molybdenum hexacarbonyl. A convenient and fast route to palladium-catalyzed carbonylation reactions.
Nils-Fredrik K Kaiser et al.
Journal of combinatorial chemistry, 4(2), 109-111 (2002-03-12)
Patrik Nordeman et al.
The Journal of organic chemistry, 77(24), 11393-11398 (2012-12-05)
A bridged two-vial system aminocarbonylation protocol where Mo(CO)(6) functions as an external in situ solid source of CO has been developed. For the first time both nitro group containing aryl/heteroaryl iodides and bromides gave good to excellent yields in the
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