4-({[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one

• ChemBase ID: 146528
• Molecular Formular: C10H14CoO4
• Molecular Mass: 257.14896
• Monoisotopic Mass: 257.02240393
• SMILES: C/C(=C\C(=O)C)/O[Co]O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C\C(=O)C)/O[Co]O/C(=C/C(=O)C)/C
• InChI: InChI=1S/2C5H8O2.Co/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: UTYYEGLZLFAFDI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one
• Synonyms: Co(acac)2; 2,4-Pentanedione cobalt(II) derivative; Bis(2,4-pentanedionato)cobalt; Cobaltous acetylacetonate; Cobalt(II) acetylacetonate; 2,4-戊二酮 钴(II) 衍生物; 乙酰丙酮合钴; 乙酰丙酮钴; 乙酰丙酮钴(II)

Database IDs

• CAS Number: 14024-48-7
• EC Number: 237-855-6
• MDL Number: MFCD00000014
• PubChem SID: 24853614; 162240722
• PubChem CID: 11076090

CALCULATED PROPERTIES

• Acid pKa: 19.13614
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3046
• LogD (pH = 7.4): 0.3046
• Log P: 0.3046
• Molar Refractivity: 54.8498 cm^3
• Polarizability: 23.404282 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165-170 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-41
• Safety Statements: 7-22-26-37/39
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312 + H332-H318-H361
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Impurities: ≤3% water
• Linear Formula: Co(C5H7O2)2

DETAILS

Sigma Aldrich - 227129

Packaging
250 g in glass bottle
50 g in poly bottle