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

• ChemBase ID: 141115
• Molecular Formular: C6F9O6Y
• Molecular Mass: 427.9520788
• Monoisotopic Mass: 427.8609647
• SMILES: C(=O)(C(F)(F)F)O[Y](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)O[Y](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• InChI: InChI=1S/3C2HF3O2.Y/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
• InChIKey: NPATVYPXYMSPKD-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 304851-95-4
• MDL Number: MFCD05663780
• PubChem SID: 162235350; 24884167
• PubChem CID: 3474736

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

Physical Property

• Apperance: powder

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: ≥99.99% trace metals basis
• Grade: anhydrous
• Linear Formula: Y(00CCF3)3

DETAILS

Sigma Aldrich - 659886

Packaging
25 g in glass bottle