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14040-11-0 molecular structure
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hexakis(methanidylidyneoxidanium) tungsten

ChemBase ID: 78462
Molecular Formular: C6O6W
Molecular Mass: 351.9006
Monoisotopic Mass: 351.92041872
SMILES and InChIs

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

Cite this record

CBID:78462 http://www.chembase.cn/molecule-78462.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
14040-11-0
EC Number
237-880-2
MDL Number
MFCD00011462
PubChem SID
162043229
24854483
24870851
24890151
PubChem CID
2724273

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.189176  H Acceptors
H Donor LogD (pH = 5.5) -3.9616656 
LogD (pH = 7.4) -3.9616656  Log P -3.9616656 
Molar Refractivity 26.2298 cm3 Polarizability 2.2798557 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
solid expand Show data source
Melting Point
150 °C(lit.) expand Show data source
169-170(dec.)°C expand Show data source
172-174°C expand Show data source
Boiling Point
451.3°C expand Show data source
Density
2.65 expand Show data source
2.65 g/mL at 25 °C(lit.) expand Show data source
Vapor Pressure
1.2 mmHg ( 67 °C) expand Show data source
Vapor Density
12.1 (vs air) expand Show data source
Storage Warning
Toxic expand Show data source
RTECS
YO7705000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
3466 expand Show data source
UN3466 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
23/24/25 expand Show data source
23/25 expand Show data source
Safety Statements
36/37-45 expand Show data source
36-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 + H311 + H331 expand Show data source
H301-H331 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P311 expand Show data source
P280F-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
RID/ADR
UN 3466 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
99.99% trace metals basis (excluding Mo) expand Show data source
Grade
purum expand Show data source
Impurities
<1% Mo expand Show data source
Purified By
sublimation expand Show data source
Linear Formula
W(CO)6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 241431 external link
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 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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