hexakis(methanidylidyneoxidanium) tungsten

• ChemBase ID: 78462
• Molecular Formular: C6O6W
• Molecular Mass: 351.9006
• Monoisotopic Mass: 351.92041872
• SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[W]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[W]
• InChI: InChI=1S/6CO.W/c6*1-2
• InChIKey: FQNHWXHRAUXLFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexakis(methanidylidyneoxidanium) tungsten
• IUPAC Traditional name: hexakis(carbon monoxide) tungsten
• Synonyms: Tungsten hexacarbonyl; Hexacarbonyl tungsten; Tungsten carbonyl 99%; Tungsten hexacarbonyl; Hexacarbonyltungsten; 六羰基钨

Database IDs

• CAS Number: 14040-11-0
• EC Number: 237-880-2
• MDL Number: MFCD00011462
• PubChem SID: 24854483; 162043229; 24870851; 24890151
• PubChem CID: 2724273

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; solid
• Melting Point: 150 °C(lit.); 169-170(dec.)°C; 172-174°C
• Boiling Point: 451.3°C
• Density: 2.65; 2.65 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.2 mmHg ( 67 °C)
• Vapor Density: 12.1 (vs air)

Safety Information

• Storage Warning: Toxic
• RTECS: YO7705000
• European Hazard Symbols: Toxic (T)
• UN Number: 3466; UN3466
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 23/24/25; 23/25
• Safety Statements: 36/37-45; 36-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331; H301-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311; P280F-P309-P310
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3466 6.1/PG 3

Product Information

• Purity: 97%; 99.99% trace metals basis (excluding Mo)
• Grade: purum
• Impurities: <1% Mo
• Purified By: sublimation
• Linear Formula: W(CO)6

DETAILS

Sigma Aldrich - 241431

Application
Precursor to a Fischer carbene complex which reduces Pd(II) to nanoparticulate Pd(0) that is catalytically active in Hiyama cross-coupling.1
Packaging
10 g in glass bottle
50 g in poly bottle

Sigma Aldrich - 472956

Application
A precursor for the perparation of tungsten-containing complexes or nanomaterials. Also used in photochemistry
Catalyst used in the photochemical cyclization of silyloxytrienes via either a 6-endo pathway or a Cope rearrangement.1
General description
Atomic number of base material: 74 Tungsten
Packaging
5, 25 g in glass bottle