dirhenium; decakis(methanidylidyneoxidanium)

• ChemBase ID: 303844
• Molecular Formular: C10O10Re2
• Molecular Mass: 652.515
• Monoisotopic Mass: 653.8606522
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re][Re]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Re][Re]
• InChI: InChI=1S/10CO.2Re/c10*1-2
• InChIKey: ZIZHEHXAMPQGEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dirhenium; decakis(methanidylidyneoxidanium)
• IUPAC Traditional name: decakis(carbon monoxide); dirhenium
• Synonyms: Dirhenium decacarbonyl; Rhenium carbonyl; Decacarbonyldirhenium; 十羰基二铼

Database IDs

• CAS Number: 14285-68-8
• EC Number: 238-202-8
• MDL Number: MFCD00011198

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

• Apperance: Powder
• Melting Point: 170°C dec.
• Density: 2.87

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: UN3466
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/25
• Safety Statements: 28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H331
• GHS Precautionary statements: P261-P301+P310-P321-P304+P340-P405-P501A

Product Information

• Purity: 96%