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

• ChemBase ID: 146273
• Molecular Formular: C15H23EuO7
• Molecular Mass: 467.30292
• Monoisotopic Mass: 468.06560808
• SMILES: C/C(=C/C(=O)C)/O[Eu](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C.O
• Canonical SMILES: C/C(=C/C(=O)C)/O[Eu](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C.O
• InChI: InChI=1S/3C5H8O2.Eu.H2O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/q;;;+3;/p-3
• InChIKey: GLDOQTGHEKXAIO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]europio}oxy)pent-3-en-2-one hydrate
• IUPAC Traditional name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]europio}oxy)pent-3-en-2-one hydrate
• Synonyms: Eu(acac)3; Europium(III) acetylacetonate hydrate; 乙酰丙酮化铕(III) 水合物

Database IDs

• CAS Number: 181266-82-0
• EC Number: 238-185-7
• MDL Number: MFCD00192170
• PubChem SID: 162240472; 24864506
• PubChem CID: 71311209

CALCULATED PROPERTIES

• Acid pKa: 18.943684
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0569
• LogD (pH = 7.4): 1.0569
• Log P: 1.0569
• Molar Refractivity: 82.2747 cm^3
• Polarizability: 36.23864 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 140 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: Eu(C5H7O2)3 · xH2O

DETAILS

Sigma Aldrich - 393215

Packaging
1 g in glass bottle