dicerium(3+) ion tricarbonate

• ChemBase ID: 303041
• Molecular Formular: C3Ce2O9
• Molecular Mass: 460.2587
• Monoisotopic Mass: 459.76510758
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Ce+3].[Ce+3]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[Ce+3].[Ce+3]
• InChI: InChI=1S/3CH2O3.2Ce/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6
• InChIKey: GHLITDDQOMIBFS-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dicerium(3+) ion tricarbonate
• IUPAC Traditional name: dicerium(3+) ion tricarbonate
• Synonyms: Cerium(III) carbonate hydrate, REacton®; 水合碳酸铈(III), REacton®

Database IDs

• CAS Number: 54451-25-1
• EC Number: 208-655-6
• MDL Number: MFCD00149635
• Merck Index: 141996

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water. Soluble indilute mineral acids.
• Apperance: Crystalline
• Melting Point: 848°C

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)