λ2-cobalt(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 302898
• Molecular Formular: C10H14CoO4
• Molecular Mass: 257.14896
• Monoisotopic Mass: 257.02240393
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Co+2]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Co+2]
• InChI: InChI=1S/2C5H8O2.Co/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-
• InChIKey: UTYYEGLZLFAFDI-FDGPNNRMSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: λ^2-cobalt(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: Cobalt(II) acetylacetonate; Bis(acetylacetonato)cobalt(II); Cobalt(II) 2,4-pentanedionate; 乙酰丙酮钴(II)

Database IDs

• CAS Number: 14024-48-7
• EC Number: 237-855-6
• MDL Number: MFCD00000014

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: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 165-170°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38-42/43
• Safety Statements: 22-24-26-37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H301-H315-H319-H317-H335-H334
• GHS Precautionary statements: P285-P301+P310-P305+P351+P338-P302+P352-P405-P501A

REFERENCES

• Catalyst which mediates the coupling of vinylic halides with organomagnesium reagents, or with organozinc reagents with retention of alkene stereochemistry: Tetrahedron Lett., 39, 6159, 6163 (1998), respectively.
• Used catalytically with NaBH₄, promotes the Pauson-Khand type reaction of an akyne, an alkene and CO: Tetrahedron Lett., 37, 3145 (1996):