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

• ChemBase ID: 302732
• Molecular Formular: C15H21O6Rh
• Molecular Mass: 400.22914
• Monoisotopic Mass: 400.03931739
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Rh+3]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Rh+3]
• InChI: InChI=1S/3C5H8O2.Rh/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-
• InChIKey: DGOINFUDFBWCMX-LNTINUHCSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: rhodium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: rhodium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: Rhodium(III) acetylacetonate; Rhodium(III) 2,4-pentanedionate, Premion®; 乙酰丙酮铑(III) Premion®

Database IDs

• CAS Number: 14284-92-5
• EC Number: 238-192-5
• MDL Number: MFCD00083144

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: Very soluble in chloroform. Soluble in alcohol
• Apperance: Crystalline
• Melting Point: 263-264°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 99.99% (metals basis), Rh 25.2% min