bis(λ1-thallanylium) oxalate

• ChemBase ID: 303451
• Molecular Formular: C2O4Tl2
• Molecular Mass: 496.7856
• Monoisotopic Mass: 497.92851248
• SMILES: C(=O)(C(=O)[O-])[O-].[Tl+].[Tl+]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[Tl+].[Tl+]
• InChI: InChI=1S/C2H2O4.2Tl/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
• InChIKey: WVNUZODXEDDHRM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^1-thallanylium) oxalate
• IUPAC Traditional name: bis(λ^1-thallanylium) oxalate
• Synonyms: Thallium(I) oxalate; 草酸铊(I)

Database IDs

• CAS Number: 30737-24-7
• MDL Number: MFCD00058725

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Density: 6.31

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN1707
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 21-26/28-33-51/53
• Safety Statements: 13-24/25-28-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H311-H330-H373-H411-H401
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A