dicerium(3+) ion octahydrate tricarbonate

• ChemBase ID: 303794
• Molecular Formular: C3H16Ce2O17
• Molecular Mass: 604.38094
• Monoisotopic Mass: 603.84962505
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O.O.O.[Ce+3].[Ce+3]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.O.O.O.O.O.O.O.[Ce+3].[Ce+3]
• InChI: InChI=1S/3CH2O3.2Ce.8H2O/c3*2-1(3)4;;;;;;;;;;/h3*(H2,2,3,4);;;8*1H2/q;;;2*+3;;;;;;;;/p-6
• InChIKey: XHUUWBOPPIDIBL-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dicerium(3+) ion octahydrate tricarbonate
• IUPAC Traditional name: dicerium(3+) ion octahydrate 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: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 848°C

Safety Information

• 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: 99.999% (REO)