bis(λ1-rhodium(1+) ion) tetrakis(methanidylidyneoxidanium) dichloride

• ChemBase ID: 302730
• Molecular Formular: C4Cl2O4Rh2
• Molecular Mass: 388.7574
• Monoisotopic Mass: 387.72837184
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].[Rh+].[Rh+]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Cl-].[Cl-].[Rh+].[Rh+]
• InChI: InChI=1S/4CO.2ClH.2Rh/c4*1-2;;;;/h;;;;2*1H;;/q;;;;;;2*+1/p-2
• InChIKey: FGKDXBICTVUSPK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^1-rhodium(1+) ion) tetrakis(methanidylidyneoxidanium) dichloride
• IUPAC Traditional name: bis(λ^1-rhodium(1+) ion) tetrakis(carbon monoxide) dichloride
• Synonyms: Rhodium carbonyl chloride; Tetracarbonyldi-mu-chlorodirhodium(I); 四羰基二-mu-氯代合二铑

Database IDs

• CAS Number: 14523-22-9
• EC Number: 238-540-6
• MDL Number: MFCD00135610
• Merck Index: 148187

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: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 121°C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN3466
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/25
• Safety Statements: 9-28-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H331
• GHS Precautionary statements: P261-P301+P310-P321-P304+P340-P405-P501A

Product Information

• Purity: Rh 50.1-52.9%