dithulium(3+) ion trioxalate

• ChemBase ID: 106933
• Molecular Formular: C6O12Tm2
• Molecular Mass: 601.92542
• Monoisotopic Mass: 601.80740144
• SMILES: [Tm+3].[Tm+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[Tm+3].[Tm+3]
• InChI: InChI=1S/3C2H2O4.2Tm/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
• InChIKey: BSCZSHAJTJRUPP-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dithulium(3+) ion trioxalate
• IUPAC Traditional name: dithulium(3+) ion trioxalate; dithulium(3+) ion trioxalate ion
• Synonyms: Thulium(III) oxalate hydrate, REacton®; THULIUM OXALATE; 草酸铥(III)水合物, REacton®

Database IDs

• CAS Number: 58176-73-1
• EC Number: 221-887-2
• MDL Number: MFCD00050804
• Merck Index: 149394
• PubChem SID: 162106041
• PubChem CID: 165099

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

• Solubility: Soluble in aqueous alkali oxalates with double oxalate formation
• 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%; 99.9% (REO)

DETAILS

MP Biomedicals - 05201945

MP Biomedicals Rare Chemical collection