diterbium(3+) ion hydrate trioxalate

• ChemBase ID: 303023
• Molecular Formular: C6H2O13Tb2
• Molecular Mass: 599.92296
• Monoisotopic Mass: 599.80023212
• SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.[Tb+3].[Tb+3]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].O.[Tb+3].[Tb+3]
• InChI: InChI=1S/3C2H2O4.H2O.2Tb/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6
• InChIKey: MRKLREZIHCKGJG-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: diterbium(3+) ion hydrate trioxalate
• IUPAC Traditional name: diterbium(3+) ion hydrate trioxalate
• Synonyms: Terbium(III) oxalate decahydrate, REacton®; 十水草酸铽(III), REacton®

Database IDs

• CAS Number: 24670-06-2
• MDL Number: MFCD00748140

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22
• Safety Statements: 24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A

Product Information

• Purity: 99.9% (REO)