cobalt(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

• ChemBase ID: 94631
• Molecular Formular: C10H2CoF12O4
• Molecular Mass: 473.0345184
• Monoisotopic Mass: 472.90934218
• SMILES: FC(C(=O)/C=C(\[O-])/C(F)(F)F)(F)F.[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[Co+2]
• Canonical SMILES: [O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[Co+2]
• InChI: InChI=1S/2C5H2F6O2.Co/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2
• InChIKey: GGFHUVMHYHJASX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate); λ^2-cobalt(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: cobalt(2+) bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate); λ^2-cobalt(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
• Synonyms: Cobalt(II) hexafluoroacetylacetonate 97%; Cobalt(II) hexafluoroacetylacetonate; Bis(1,1,1,5,5,5-hexafluoroacetylacetonato)cobalt(II); Cobalt(II) hexafluoro-2,4-pentanedionate hydrate; 六氟乙酰丙酮钴(II)水合物

Database IDs

• CAS Number: 19648-83-0
• MDL Number: MFCD00042510
• PubChem SID: 162081285
• PubChem CID: 5702842

CALCULATED PROPERTIES

• Acid pKa: 3.7387822
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.31378
• LogD (pH = 7.4): -1.2143137
• Log P: 2.0751166
• Molar Refractivity: 40.9013 cm^3
• Polarizability: 10.132205 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 173-179°C; 197°C

Safety Information

• Storage Warning: Toxic
• European Hazard Symbols: X
• Risk Statements: 36/37/38-40-43
• Safety Statements: 24-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H315-H319-H317-H335
• GHS Precautionary statements: P280H-P262-P305+P351+P338

Product Information

• Purity: 97%