hexadecakis(methanidylidyneoxidanium) hexarhodium

• ChemBase ID: 145537
• Molecular Formular: C16O16Rh6
• Molecular Mass: 1065.5946
• Monoisotopic Mass: 1065.35165792
• 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+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Rh].[Rh].[Rh].[Rh].[Rh].[Rh]
• Canonical 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-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Rh].[Rh].[Rh]
• InChI: InChI=1S/16CO.6Rh/c16*1-2
• InChIKey: SZQABOJVTZVBHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecakis(methanidylidyneoxidanium) hexarhodium
• IUPAC Traditional name: hexadecakis(carbon monoxide) hexarhodium
• Synonyms: Rhodium(0) carbonyl; Hexarhodium(0) hexadecacarbonyl; Hexadecacarbonylhexarhodium; Rhodium carbonyl; Hexarhodium hexadecacarbonyl; 十六羰基六铑; 十六羰基合六铑; 十六羰基六铑

Database IDs

• CAS Number: 28407-51-4
• EC Number: 249-009-3
• MDL Number: MFCD00011206
• PubChem SID: 162239742; 24854881
• PubChem CID: 10866043

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: false

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN3466
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332; H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Compostion: Rh, 57-60% (approx.)
• Linear Formula: Rh6(CO)16

DETAILS

Sigma Aldrich - 247650

Application
Catalyst for hydrogenation of alkenes, hydroformylations ofalkenes; reducing agent for aldehydes, ketones, and nitro groups; catalyst for carbenoid reactions of diazo compounds
Widely used organometallic catalyst. Applications include the hydroformylation of olefins.
Packaging
1 g in glass bottle