cerium(3+) ion hydrate trinitrate

• ChemBase ID: 302814
• Molecular Formular: CeH2N3O10
• Molecular Mass: 344.14598
• Monoisotopic Mass: 343.87945628
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Ce+3]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.[Ce+3]
• InChI: InChI=1S/Ce.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1
• InChIKey: KQJQGYQIHVYKTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cerium(3+) ion hydrate trinitrate
• IUPAC Traditional name: cerium(3+) ion hydrate trinitrate
• Synonyms: Cerium(III) acetate sesquihydrate, REacton®; 醋酸铈(III)倍半水合物, REacton®

Database IDs

• CAS Number: 537-00-8
• EC Number: 208-654-0
• MDL Number: MFCD00051060

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline Aggregates
• Melting Point: 308°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 37/38-41
• Safety Statements: 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H315-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.99% (REO)