yttrium(3+) ion tritrifluoroacetate

• ChemBase ID: 303801
• Molecular Formular: C6F9O6Y
• Molecular Mass: 427.9520788
• Monoisotopic Mass: 427.8609647
• SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Y+3]
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[Y+3]
• 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: yttrium(3+) ion tritrifluoroacetate
• IUPAC Traditional name: yttrium(3+) ion tritrifluoroacetate
• Synonyms: Yttrium(III) trifluoroacetate hydrate; 三氟乙酸钇(III)水合物

Database IDs

• CAS Number: 304851-95-4
• MDL Number: MFCD05663780

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 24.491 cm^3
• Polarizability: 5.106112 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.9% (REO)