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

• ChemBase ID: 148556
• Molecular Formular: C15H21MnO6
• Molecular Mass: 352.261689
• Monoisotopic Mass: 352.07185849
• SMILES: C/C(=C/C(=O)C)/O[Mn](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C/C(=O)C)/O[Mn](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C
• InChI: InChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: HYZQBNDRDQEWAN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
• Synonyms: Mn(acac)3; 2,4-Pentanedione manganese(III) derivative; Manganic acetylacetonate; Manganese(III) acetylacetonate; 2,4-戊二酮 锰(III) 衍生物; 乙酰丙酮锰; 乙酰丙酮锰(III)

Database IDs

• CAS Number: 14284-89-0
• EC Number: 238-188-3
• MDL Number: MFCD00000023
• PubChem SID: 162242731; 24896721
• PubChem CID: 71311349

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: 33.36007 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159-161 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (KT)
• Grade: technical; technical grade
• Linear Formula: Mn(C5H7O2)3

DETAILS

Sigma Aldrich - M2284

Application
Oxidant used to oxidize phenols, β-dicarbonyl compounds, and thiols.
Packaging
25, 100 g in glass bottle