aluminium(3+) ion tridihydrogen phosphate

• ChemBase ID: 157815
• Molecular Formular: AlH9O12P3
• Molecular Mass: 320.967081
• Monoisotopic Mass: 320.91222425
• SMILES: OP(=O)(O)[O-].OP(=O)(O)[O-].OP(=O)(O)[O-].[AlH3+3]
• Canonical SMILES: [O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[AlH3+3]
• InChI: InChI=1S/Al.3H3O4P/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-3
• InChIKey: RGPUVZXXZFNFBF-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tridihydrogen phosphate
• IUPAC Traditional name: aluminium(3+) ion tridihydrogen phosphate
• Synonyms: Aluminum dihydrogen orthophosphate; Aluminum hydrogen phosphate; Aluminum dihydrogen phosphate; prim-Aluminum phosphate; Aluminum phosphate monobasic; Aluminum phosphate monobasic solution; Aluminum phosphate monobasic; Aluminum dihydrogen phosphate; 双氢磷酸铝; 正磷酸铝; 磷酸二氢铝; 磷酸二氢铝 溶液

Database IDs

• CAS Number: 13530-50-2
• EC Number: 236-875-2
• MDL Number: MFCD00014152
• PubChem SID: 24845809; 24845810; 162251952
• PubChem CID: 9818426

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 13.5302 cm^3
• Polarizability: 5.806723 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.5; 1.5 g/mL at 20 °C

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0% (gravimetric); 50% w/w aq. soln.
• Concentration: ~50% in H2O
• Grade: purum
• Loss on Drying: ≤20% loss on ignition, 800 °C
• Linear Formula: Al(H2PO4)3