bis[(trifluoroacetyl)oxy]yttrio 2,2,2-trifluoroacetate hydrate

• ChemBase ID: 148564
• Molecular Formular: C6H2F9O7Y
• Molecular Mass: 445.9673588
• Monoisotopic Mass: 445.87152938
• SMILES: C(=O)(C(F)(F)F)O[Y](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.O
• Canonical SMILES: O=C(C(F)(F)F)O[Y](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.O
• InChI: InChI=1S/3C2HF3O2.H2O.Y/c3*3-2(4,5)1(6)7;;/h3*(H,6,7);1H2;/q;;;;+3/p-3
• InChIKey: VRSLNAUKODUVCP-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(trifluoroacetyl)oxy]yttrio 2,2,2-trifluoroacetate hydrate
• IUPAC Traditional name: bis[(trifluoroacetyl)oxy]yttrio 2,2,2-trifluoroacetate hydrate
• Synonyms: Yttrium(III) trifluoroacetate hydrate; 三氟乙酸钇(III) 水合物

Database IDs

• CAS Number: 304851-95-4
• MDL Number: MFCD00192577
• PubChem SID: 162242739; 24864157
• PubChem CID: 16212473

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: 19.675814 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

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: 99%
• Linear Formula: Y(CF3CO2)3 · xH2O

DETAILS

Sigma Aldrich - 395366

Packaging
5 g in glass bottle