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577766

Sigma-Aldrich

Molybdenumhexacarbonyl

≥99.9% trace metals basis

Synonym(s):

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

vapor density

9.1 (vs air)

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

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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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
Microwave-promoted aminocarbonylations of aryl chlorides using Mo(CO)(6) as a solid carbon monoxide source.
Olof Lagerlund et al.
Journal of combinatorial chemistry, 8(1), 4-6 (2006-01-10)
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
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
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