bis(λ2-ruthenium(2+) ion) hexakis(methanidylidyneoxidanium) tetrachloride

• ChemBase ID: 302719
• Molecular Formular: C6Cl4O6Ru2
• Molecular Mass: 512.0126
• Monoisotopic Mass: 511.65359644
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2]
• InChI: InChI=1S/6CO.4ClH.2Ru/c6*1-2;;;;;;/h;;;;;;4*1H;;/q;;;;;;;;;;2*+2/p-4
• InChIKey: JYHHJVKGDCZCCL-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^2-ruthenium(2+) ion) hexakis(methanidylidyneoxidanium) tetrachloride
• IUPAC Traditional name: bis(λ^2-ruthenium(2+) ion) hexakis(carbon monoxide) tetrachloride
• Synonyms: Tricarbonyldichlororuthenium(II) dimer; 三羰基二氯代钌(II) 二聚物

Database IDs

• CAS Number: 22594-69-0
• MDL Number: MFCD00011528

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: Crystalline

Safety Information

• European Hazard Symbols: X
• UN Number: UN3466
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37/39-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A