dithallium(3+) ion trioxidandiide

• ChemBase ID: 129835
• Molecular Formular: O3Tl2
• Molecular Mass: 456.7648
• Monoisotopic Mass: 457.93359786
• SMILES: [O-2].[O-2].[O-2].[Tl+3].[Tl+3]
• Canonical SMILES: [O-2].[O-2].[O-2].[Tl+3].[Tl+3]
• InChI: InChI=1S/3O.2Tl/q3*-2;2*+3
• InChIKey: LPHBARMWKLYWRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dithallium(3+) ion trioxidandiide
• IUPAC Traditional name: dithallium(3+) ion trioxidandiide
• Synonyms: Thallic oxide; Thallium(III) oxide; thallium trioxide; thallium sesquioxide; Thallium(III) oxide; 三氧化二铊; 三氧化二铊(III)

Database IDs

• CAS Number: 1314-32-5
• EC Number: 215-229-3
• MDL Number: MFCD00011276
• Merck Index: 149268
• PubChem SID: 162224121
• PubChem CID: 9804116
• Chemspider ID: 7979876
• Wikipedia Title: Thallium(III)_oxide

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water; Insoluble in water and alkalies. Decomposes in HCl and H2SO4
• Apperance: colourless solid; Powder
• Melting Point: 717°C; 717°C
• Boiling Point: 875°C (decomp.); 875°C
• Density: 10.19 g/cm^3, solid (22 °C); 9.65

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN1707
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/28-33-51/53
• Safety Statements: 13-28-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• NFPA704:
  

  0

  4

  0
• LD50: 44 mg/kg (oral, rat)
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A

Product Information

• Purity: 96%; 99.9% (metals basis); 99.99% (metals basis)