dilanthanum(3+) ion octahydrate tricarbonate

• ChemBase ID: 108940
• Molecular Formular: C3H16La2O17
• Molecular Mass: 601.95994
• Monoisotopic Mass: 601.85145505
• SMILES: O.O.O.O.O.O.O.O.[La+3].[La+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.O.O.O.O.O.O.O.[La+3].[La+3]
• InChI: InChI=1S/3CH2O3.2La.8H2O/c3*2-1(3)4;;;;;;;;;;/h3*(H2,2,3,4);;;8*1H2/q;;;2*+3;;;;;;;;/p-6
• InChIKey: GAYSPCNXZCAPHX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dilanthanum(3+) ion octahydrate tricarbonate
• IUPAC Traditional name: dilanthanum(3+) octahydrate triCO3; dilanthanum(3+) ion octahydrate tricarbonate
• Synonyms: LANTHANUM CARBONATE; Lanthanum(III) carbonate hydrate, REacton®; 碳酸镧(III)水合物, REacton®

Database IDs

• CAS Number: 54451-24-0; 6487-39-4
• EC Number: 209-599-5
• MDL Number: MFCD00011069
• Merck Index: 145364
• PubChem SID: 162094502
• PubChem CID: 25021823

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: Powder/Lump
• Density: 2.6-2.7

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: 99.99% (REO)

DETAILS

MP Biomedicals - 05209317

MP Biomedicals Rare Chemical collection