dicerium(3+) ion trioxalate

• ChemBase ID: 302965
• Molecular Formular: C6Ce2O12
• Molecular Mass: 544.289
• Monoisotopic Mass: 543.74985144
• SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Ce+3].[Ce+3]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[Ce+3].[Ce+3]
• InChI: InChI=1S/3C2H2O4.2Ce/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
• InChIKey: ZMZNLKYXLARXFY-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dicerium(3+) ion trioxalate
• IUPAC Traditional name: dicerium(3+) ion trioxalate
• Synonyms: Cerium(III) oxalate hydrate, REacton®; Cerium(III) oxalate hydrate; 草酸铈(III)水合物, REacton®; 草酸铈(III)水合物

Database IDs

• CAS Number: 15750-47-7
• MDL Number: MFCD00150139
• Merck Index: 142001

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: Insoluble in water. Soluble in hot dilute HCl and H2SO4
• Apperance: Crystalline; Crystalline Powder; Powder
• Melting Point: dec.

Safety Information

• Storage Warning: Hygroscopic
• 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%; 99.9% (REO); 99.989% (REO)