Tri-ruthenium dodecacarbonyl
Basic information
- CAS
15243-33-1- Standard SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].[Ru].[Ru]- InChIKey
NQZFAUXPNWSLBI-UHFFFAOYSA-N- Molecular formula
- C12O12Ru3
- Average molar mass
- 639.3 g/mol
- Monoisotopic mass
- 641.652
Overview
See also: Triruthenium dodecacarbonyl (preferred).
Names & identifiers
- Preferred name
- Tri-ruthenium dodecacarbonyl
- IUPAC
- carbon monoxide;ruthenium
- English name
- Ruthenium carbonyl
- Molecular formula
- C12O12Ru3
- Molecular weight
- 639.33
Names & synonyms
carbon monoxide;rutheniumTri-ruthenium dodecacarbonylRuthenium,dodecacarbonyltri-Ru3(CO)12TRIRUTHENIUM DODECACARBONYLDODECACARBONYLTRIRUTHENIUMpentaoxoniumRUTHENIUM CARBONYLRutheniumcarbonyl,99%Ruthenium carbonyl 99%carbon monoxide rutheniumDIRUTHENIUM DODECACARBONYL
Database identifiers
- CAS
15243-33-1- PubChem CID
- 519095
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Sparingly soluble in hydrocarbons (e.g. hexane, cyclohexane, benzene) and acetone.
- form
- crystal
- color
- orange
- InChI
- InChI=1S/12CO.3Ru/c12*1-2;;;
- InChIKey
- NQZFAUXPNWSLBI-UHFFFAOYSA-N
- SMILES
- [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Ru].[Ru].[Ru]
- CAS DataBase Reference
- 15243 · 15243-33-1(CAS DataBase Reference)
- EPA Substance Registry System
- Ruthenium, dodecacarbonyltri-, triangulo (15243-33-1)
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1325
- hs_code
- 28439000
- risk_code
- 11-20-2017/11/20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,Xn
- hazard_note
- Flammable/Harmful
- safety_code
- 24/25
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H332
- Hazard Classifications
- Acute Tox. 4 Inhalation
- Precautionary statements
- P261-P271-P304+P340+P312
Chemistry & industry
Applications
DescriptionTriruthenium dodecacarbonyl is a metal carbonyl complex, classified as an inorganic compound. Its molecular formula is Ru3(CO)12, with a molecular weight of 639.33. It possesses D3h symmetry and a core composed of a Ru equilateral triangle. Each Ru atom is attached to two axial and two equatorial CO ligands. Unlike triiron dodecacarbonyl, this compound does not contain any bridge bonds. It is commonly employed as a precursor for various organoruthenium compounds.
UsesRuthenium carbonyl is a H-transfer catalyst. It is used in carbonylation catalysis of the allylic amination of unactivated olefins by nitroarenes, reductive carbonylation of mononitro aromatic compounds to carbamates, and as a catalyst for cycloaddition reactions. It is employed as a precursor for the synthesis of Ru nanoparticles. Catalyst used in the intermolecular [3+2+1] cycloaddition of alpha,beta-unsaturated ketones with silylacetylenes and carbon monoxide, to produce alpha-pyrones. Catalyzes the coupling of silanes with thiols, alcohols and amines with high turnover number (TON) and high turnover frequency (TOF).
General DescriptionAtomic number of base material: 44 Ruthenium
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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