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13939-06-5 molecular structure
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hexakis(methanidylidyneoxidanium) molybdenum

ChemBase ID: 78460
Molecular Formular: C6MoO6
Molecular Mass: 264.0206
Monoisotopic Mass: 265.87489572
SMILES and InChIs

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

Cite this record

CBID:78460 http://www.chembase.cn/molecule-78460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
13939-06-5
EC Number
237-713-3
MDL Number
MFCD00003466
PubChem SID
24851946
24880893
24885991
162043227
PubChem CID
2724068

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, may contain up to 1% Cr expand Show data source
solid expand Show data source
Melting Point
150 °C (dec.)(lit.) expand Show data source
150°C expand Show data source
150-151(dec.)°C expand Show data source
ca 150°C dec. expand Show data source
Boiling Point
156 °C(lit.) expand Show data source
156°C expand Show data source
Density
1.96 expand Show data source
1.96 g/mL at 25 °C(lit.) expand Show data source
Vapor Density
9.1 (vs air) expand Show data source
Storage Warning
Very Toxic/Store under Argon expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
Harmful Harmful (Xn) 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
26/27/28 expand Show data source
26/28 expand Show data source
R:22 expand Show data source
Safety Statements
28-36-45 expand Show data source
36/37/39-45 expand Show data source
S:36/37/39 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
H300-H310-H330 expand Show data source
H300-H330 expand Show data source
GHS Precautionary statements
P260-P264-P280-P284-P301 + P310-P302 + P350 expand Show data source
P260-P264-P280-P284-P302 + P350-P310 expand Show data source
P280F-P302+P352-P304+P340-P310 expand Show data source
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 expand Show data source
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3466 6.1/PG 2 expand Show data source
Purity
≥99.9% trace metals basis expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Purified By
sublimation expand Show data source
Linear Formula
Mo(CO)6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 199958 external link
Packaging
10, 50, 250 g in glass bottle
Sigma Aldrich - 577766 external link
General description
Atomic number of base material: 42 Molybdenum
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 69875 external link
Packaging
5, 25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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).
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PATENTS

PATENTS

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INTERNET

INTERNET

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