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

• ChemBase ID: 144920
• Molecular Formular: C15H21CoO6
• Molecular Mass: 356.25684
• Monoisotopic Mass: 356.06700839
• SMILES: C/C(=C/C(=O)C)/O[Co](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C/C(=O)C)/O[Co](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C
• InChI: InChI=1S/3C5H8O2.Co/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: RHCQEPWEBDOALW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one
• Synonyms: Co(acac)3; Cobalt(III) 2,4-pentanedionate; Cobaltic acetylacetonate; Tris(2,4-pentanedionato)cobalt; Cobalt(III) acetylacetonate; 三(2,4-戊二酮)钴; 三乙酰丙酮钴; 乙酰丙酮合钴; 乙酰丙酮钴(III)

Database IDs

• CAS Number: 21679-46-9
• EC Number: 244-527-6
• MDL Number: MFCD00013488
• Beilstein Number: 9007210
• PubChem SID: 24872912; 24893058; 162239132
• PubChem CID: 71311131

CALCULATED PROPERTIES

• Acid pKa: 18.943684
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.3069
• LogD (pH = 7.4): 0.3069
• Log P: 0.3069
• Molar Refractivity: 82.2747 cm^3
• Polarizability: 33.506382 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: granular; powder or crystals
• Melting Point: 210-213 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 42/43
• Safety Statements: 22-36/37-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H334
• GHS Precautionary statements: P261-P280-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 98%; 99.99% trace metals basis
• Linear Formula: Co(C5H7O2)3

DETAILS

Sigma Aldrich - 494534

Features and Benefits
Used for the preparation of a new family of monoporphyrinates which are interesting for their photochemical and magnetic properties and synthetic applications.1
Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - C83902

Features and Benefits
Used for the preparation of a new family of monoporphyrinates which are interesting for their photochemical and magnetic properties and synthetic applications.1
Packaging
25, 100 g in poly bottle