palladium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 128799
• Molecular Formular: C10H14O4Pd
• Molecular Mass: 304.63576
• Monoisotopic Mass: 303.99269493
• SMILES: O=C(C)/C=C(/C)\[O-].O=C(C)/C=C(/C)\[O-].[Pd+2]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Pd+2]
• InChI: InChI=1S/2C5H8O2.Pd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: JKDRQYIYVJVOPF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate); palladium(2+) ion bis(4-oxopent-2-en-2-olate)
• IUPAC Traditional name: palladium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate); palladium(2+) ion bis(4-oxopent-2-en-2-olate)
• Synonyms: Palladium(II) acetylacetonate; Bis(acetylacetonato)palladium(II); Palladium(II) 2,4-pentanedionate; Palladium(II) acetylacetonate; 乙酰丙酮钯(II)

Database IDs

• CAS Number: 14024-61-4
• EC Number: 237-859-8
• MDL Number: MFCD00000025
• PubChem SID: 162223103
• PubChem CID: 5486778; 3035388
• Wikipedia Title: Palladium(II)_acetylacetonate

CALCULATED PROPERTIES

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

PROPERTIES

Physical Property

• Solubility: Soluble in benzene and chloroform
• Apperance: Powder
• Melting Point: 200–251 °C (dec.); 210°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 41
• Safety Statements: 26-39-60
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305+P351+P338-P310

Product Information

• Purity: Pd 34.7%