ruthenium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 302733
• Molecular Formular: C15H21O6Ru
• Molecular Mass: 398.39364
• Monoisotopic Mass: 399.03816239
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ru+3]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Ru+3]
• InChI: InChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-
• InChIKey: RTZYCRSRNSTRGC-LNTINUHCSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: ruthenium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: ruthenium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: Ruthenium(III) acetylacetonate; Tris(acetylacetonato)ruthenium(III); Ruthenium(III) 2,4-pentanedionate; 钌(III) 2,4-戊二酮

Database IDs

• CAS Number: 14284-93-6
• EC Number: 238-193-0
• MDL Number: MFCD00000030

CALCULATED PROPERTIES

• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34448203
• LogD (pH = 7.4): 0.34309724
• Log P: 0.3444997
• Molar Refractivity: 39.1896 cm^3
• Polarizability: 10.113493 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in acetone, chlorinated hydrocarbons, alcohols, cyclohexane and benzene
• Apperance: Crystalline
• Melting Point: 260°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: Ru 24% min