bis(λ1-thallanylium) carbonate

• ChemBase ID: 108299
• Molecular Formular: CO3Tl2
• Molecular Mass: 468.7755
• Monoisotopic Mass: 469.93359786
• SMILES: [Tl+].[Tl+].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[Tl+].[Tl+]
• InChI: InChI=1S/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
• InChIKey: DASUJKKKKGHFBF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^1-thallanylium) carbonate; bis($l^{1}-thallanylium) carbonate
• IUPAC Traditional name: bis(λ^1-thallanylium) carbonate; dithallium(1+) CO3
• Synonyms: thallium monocarbonate; Thallium(I) carbonate; THALLIUM CARBONATE (OUS)

Database IDs

• CAS Number: 6533-73-9
• EC Number: 229-434-0
• PubChem SID: 162093952
• PubChem CID: 23031
• Chemspider ID: 21553
• Wikipedia Title: Thallium(I)_carbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 5.2 g/100 mL (25 °C) ; 27.2 g/100 mL (100 °C) in water; insoluble in alcohol, ether, acetone
• Apperance: white crystals
• Melting Point: 272°C
• Density: 7.11 g/cm^3, solid
• Odor: odorless

Safety Information

• RTECS: XG4000000
• European Hazard Symbols: Highly toxic (T+)
• Risk Statements: R:26/28-33
• Safety Statements: S:13-28-45
• NFPA704:
  

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DETAILS

MP Biomedicals - 05206855

MP Biomedicals Rare Chemical collection