indium(3+) ion tribromide

• ChemBase ID: 303477
• Molecular Formular: Br3In
• Molecular Mass: 354.53
• Monoisotopic Mass: 351.658889
• SMILES: [Br-].[Br-].[Br-].[In+3]
• Canonical SMILES: [Br-].[Br-].[Br-].[In+3]
• InChI: InChI=1S/3BrH.In/h3*1H;/q;;;+3/p-3
• InChIKey: JKNHZOAONLKYQL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: indium(3+) ion tribromide
• IUPAC Traditional name: indium(3+) ion tribromide
• Synonyms: Indium(III) bromide, anhydrous; 溴化铟(III), 无水

Database IDs

• CAS Number: 13465-09-3
• EC Number: 236-692-8
• MDL Number: MFCD00011057

CALCULATED PROPERTIES

• Acid pKa: -8.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0182534
• LogD (pH = 7.4): 1.0182534
• Log P: 0.797834
• Molar Refractivity: 8.5991 cm^3
• Polarizability: 3.2406807 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline Powder
• Melting Point: ca 436°C
• Density: 4.74

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 99.99% (metals basis)

REFERENCES

• Versatile water-tolerant Lewis acid catalyst. Examples of its use include:
• Dithioacetalization of aldehydes in non-aqueous amd aqueous media: Tetrahedron Lett., 41, 9695 (2000). Addition of TMS cyanide to ɑ-hetero substituted ketones: Tetrahedron Lett., 42, 3041 (2001). Conversion of oxiranes to thiiranes with KSCN: Synlett, 396 (2003). Addition of indoles to enones: J. Org. Chem., 67, 3700 (2002); 68, 7126 (2003), and to chiral epoxides: J. Org. Chem., 67, 5386 (2002).
• For a brief feature on uses of the reagent in synthesis, see: Synlett, 711 (2005).