dialuminium(3+) ion trioxalate

• ChemBase ID: 108207
• Molecular Formular: C6H6Al2O12
• Molecular Mass: 324.067716
• Monoisotopic Mass: 323.94900289
• SMILES: [AlH3+3].[AlH3+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/3C2H2O4.2Al/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
• InChIKey: ZCLVNIZJEKLGFA-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion trioxalate
• IUPAC Traditional name: dialuminium(3+) ion trioxalate; dialuminium(3+) trioxalate ion
• Synonyms: Aluminum oxalate hydrate; ALUMINUM OXALATE; 草酸铝水合物

Database IDs

• CAS Number: 814-87-9
• EC Number: 231-072-3; 212-407-2
• MDL Number: MFCD00050791
• Merck Index: 14355
• PubChem SID: 162095470
• PubChem CID: 93561

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: true

PROPERTIES

Physical Property

• Apperance: Powder/chunks

Safety Information

• RTECS: BD0516250
• European Hazard Symbols: Flammable (F); X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22; R:15-17
• Safety Statements: 24/25; S:7/8
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05206473

MP Biomedicals Rare Chemical collection