bis[(trifluoroacetyl)oxy]europio 2,2,2-trifluoroacetate trihydrate

• ChemBase ID: 148909
• Molecular Formular: C6H6EuF9O9
• Molecular Mass: 545.0560688
• Monoisotopic Mass: 545.90804075
• SMILES: C(=O)(C(F)(F)F)O[Eu](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.O.O.O
• Canonical SMILES: O=C(C(F)(F)F)O[Eu](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.O.O.O
• InChI: InChI=1S/3C2HF3O2.Eu.3H2O/c3*3-2(4,5)1(6)7;;;;/h3*(H,6,7);;3*1H2/q;;;+3;;;/p-3
• InChIKey: XRSVOJDENGHXJS-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(trifluoroacetyl)oxy]europio 2,2,2-trifluoroacetate trihydrate
• IUPAC Traditional name: bis[(trifluoroacetyl)oxy]europio 2,2,2-trifluoroacetate trihydrate
• Synonyms: Europium(III) trifluoroacetate trihydrate; 三氟乙酸铕(III) 三水合物

Database IDs

• CAS Number: 94079-71-7
• MDL Number: MFCD00192171
• PubChem SID: 24864156; 162243080
• PubChem CID: 71311372

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1638
• LogD (pH = 7.4): 3.1638
• Log P: 3.1638
• Molar Refractivity: 38.1789 cm^3
• Polarizability: 21.812626 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%
• Linear Formula: (CF3CO2)3Eu · 3H2O

DETAILS

Sigma Aldrich - 395358

Packaging
5 g in glass bottle