hexakis(methanidylidyneoxidanium) molybdenum

• ChemBase ID: 78460
• Molecular Formular: C6MoO6
• Molecular Mass: 264.0206
• Monoisotopic Mass: 265.87489572
• SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Mo]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Mo]
• InChI: InChI=1S/6CO.Mo/c6*1-2
• InChIKey: KMKBZNSIJQWHJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexakis(methanidylidyneoxidanium) molybdenum
• IUPAC Traditional name: hexakis(carbon monoxide) molybdenum
• Synonyms: Hexacarbonylmolybdenum(0); Molybdenumhexacarbonyl; Molybdenum carbonyl 98%; MOLYBDENUM CARBONYL; Molybdenum hexacarbonyl; Molybdenum carbonyl; Hexacarbonylmolybdenum; 羰化钼; 六羰基钼

Database IDs

• CAS Number: 13939-06-5
• EC Number: 237-713-3
• MDL Number: MFCD00003466
• PubChem SID: 24851946; 24880893; 24885991; 162043227
• PubChem CID: 2724068

CALCULATED PROPERTIES

• Acid pKa: 15.189176
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline, may contain up to 1% Cr; solid
• Melting Point: 150 °C (dec.)(lit.); 150°C; 150-151(dec.)°C; ca 150°C dec.
• Boiling Point: 156 °C(lit.); 156°C
• Density: 1.96; 1.96 g/mL at 25 °C(lit.)
• Vapor Density: 9.1 (vs air)

Safety Information

• Storage Warning: Very Toxic/Store under Argon
• European Hazard Symbols: Highly toxic (T+); Harmful (Xn)
• UN Number: 3466; UN3466
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 26/27/28; 26/28; R:22
• Safety Statements: 28-36-45; 36/37/39-45; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330; H300-H330
• GHS Precautionary statements: P260-P264-P280-P284-P301 + P310-P302 + P350; P260-P264-P280-P284-P302 + P350-P310; P280F-P302+P352-P304+P340-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3466 6.1/PG 2

Product Information

• Purity: ≥99.9% trace metals basis; 98%
• Grade: technical
• Purified By: sublimation
• Linear Formula: Mo(CO)6

DETAILS

Sigma Aldrich - 199958

Packaging
10, 50, 250 g in glass bottle

Sigma Aldrich - 577766

General description
Atomic number of base material: 42 Molybdenum
Packaging
5, 25 g in glass bottle

Sigma Aldrich - 69875

Packaging
5, 25, 100 g in glass bottle

REFERENCES

• Catalyst and reagent in a variety of applications. Alternative to Octacarbonyldicobalt, 13060 for the Pauson-Khand [2 + 2 + 1] cycloaddition of an alkyne, an alkene and carbon monoxide to form a cyclopentenone: Tetrahedron Lett., 34, 4027 (1993); Org. Lett., 7, 431 (2005). For a brief survey of uses in synthesis, see: Synlett, 1195 (2005).