indium(3+) ion triethanolate

• ChemBase ID: 303818
• Molecular Formular: C6H15InO3
• Molecular Mass: 249.9995
• Monoisotopic Mass: 250.00599734
• SMILES: CC[O-].CC[O-].CC[O-].[In+3]
• Canonical SMILES: [O-]CC.[O-]CC.[O-]CC.[In+3]
• InChI: InChI=1S/3C2H5O.In/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
• InChIKey: MCXZOLDSEPCWRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: indium(3+) ion triethanolate
• IUPAC Traditional name: indium(3+) ion tris(ethoxide)
• Synonyms: Indium(III) ethoxide; 乙氧基铟(III)

Database IDs

• CAS Number: 62763-48-8
• MDL Number: MFCD00799104

CALCULATED PROPERTIES

• Acid pKa: 16.470615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• Molar Refractivity: 23.5602 cm^3
• Polarizability: 4.748913 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder/chunks
• Melting Point: 150°C dec.

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P280G-P305+P351+P338-P337+P313

Product Information

• Purity: 99.9% (metals basis)