tetrapotassium hexacyanorutheniumtetrauide trihydrate

• ChemBase ID: 302850
• Molecular Formular: C6H6K4N6O3Ru
• Molecular Mass: 467.61344
• Monoisotopic Mass: 467.8093138
• SMILES: C(#N)[Ru-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
• Canonical SMILES: N#C[Ru-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/6CN.4K.3H2O.Ru/c6*1-2;;;;;;;;/h;;;;;;;;;;3*1H2;/q;;;;;;4*+1;;;;-4
• InChIKey: MKSJOGXFWSRAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium hexacyanorutheniumtetrauide trihydrate
• IUPAC Traditional name: tetrapotassium hexacyanorutheniumtetrauide trihydrate
• Synonyms: Potassium hexacyanoruthenate(II) hydrate; 六氰基钌(II)酸钾水合物

Database IDs

• CAS Number: 339268-21-2
• EC Number: 239-097-1
• MDL Number: MFCD00168064

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.6594
• LogD (pH = 7.4): -0.6594
• Log P: -0.6594
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 17.203081 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: X
• UN Number: UN1588
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: Ru 23.0% min