aluminium(3+) ion tris(propan-2-olate)

• ChemBase ID: 109289
• Molecular Formular: C9H24AlO3
• Molecular Mass: 207.266598
• Monoisotopic Mass: 207.15408326
• SMILES: [AlH3+3].CC(C)[O-].CC(C)[O-].CC(C)[O-]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[AlH3+3]
• InChI: InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: SMZOGRDCAXLAAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tris(propan-2-olate)
• IUPAC Traditional name: aluminium(3+) tris(propan-2-olate); aluminium(3+) ion tris(propan-2-olate)
• Synonyms: ALUMINUM ISOPROPOXIDE; Triisopropoxyaluminium; Aluminium isopropanolate; Aluminium sec-propanolate; Aluminium triisopropoxide; 2-Propanol aluminium salt; AIP; Aluminium isopropoxide; Aluminum isopropylate; Triisopropoxyaluminum; Aluminum isopropoxide; 异丙醇铝

Database IDs

• CAS Number: 555-31-7
• EC Number: 209-090-8
• MDL Number: MFCD00008870
• Merck Index: 14347
• PubChem SID: 162088924
• PubChem CID: 11143
• Chemspider ID: 10670
• Wikipedia Title: Aluminium_isopropoxide

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water; Soluble in alcohol, benzene, and toluene. Decomposes in water; Soluble in isopropanol
• Apperance: Granular; Powder; white solid
• Melting Point: 131-135°C; Sensitive to purity:; 138–142 °C (99.99+%); 118 °C (98+%)
• Boiling Point: @10 torr 135 °C (408 K); 135°C/10mm
• Flash Point: 16 °C
• Density: 1.035; 1.035 g/cm3, solid
• Refractive Index: 1.0346

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: BD0975000
• European Hazard Symbols: Flammable (F)
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11; R:11; R11
• Safety Statements: 8-16; S:8-16; S8, S16
• TSCA Listed: 是
• GHS Pictograms: GHS02
• Main Hazard: Flammable (F)
• NFPA704:
  

  1

  2

  2
• GHS Hazard statements: H228
• GHS Precautionary statements: P210-P241-P280-P240-P370+P378A

Product Information

• Purity: 98+%; 99.99+% (metals basis)

DETAILS

MP Biomedicals - 05210479

MP Biomedicals Rare Chemical collection