thulium(3+) ion triacetate

• ChemBase ID: 303022
• Molecular Formular: C6H9O6Tm
• Molecular Mass: 346.06627
• Monoisotopic Mass: 345.97412601
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Tm+3]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Tm+3]
• InChI: InChI=1S/3C2H4O2.Tm/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: SNMVVAHJCCXTQR-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: thulium(3+) ion triacetate
• IUPAC Traditional name: thulium(3+) ion triacetate
• Synonyms: Thulium(III) acetate hydrate, REacton®; 乙酸铥(III)水合物, REacton®

Database IDs

• CAS Number: 314041-04-8
• EC Number: 254-326-5
• MDL Number: MFCD00013046

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline Aggregates

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• 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)