dithallanyl carbonate

• ChemBase ID: 137042
• Molecular Formular: CO3Tl2
• Molecular Mass: 468.7755
• Monoisotopic Mass: 469.93359786
• SMILES: C(=O)(O[Tl])O[Tl]
• Canonical SMILES: [Tl]OC(=O)O[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: dithallanyl carbonate
• IUPAC Traditional name: dithallanyl carbonate
• Synonyms: Thallous carbonate; Thallium(I) carbonate; 碳酸亚铊; 碳酸铊(I)

Database IDs

• CAS Number: 6533-73-9
• EC Number: 229-434-0
• MDL Number: MFCD00011275
• PubChem SID: 24855478; 24860114; 162231307
• PubChem CID: 16694859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5959
• LogD (pH = 7.4): -0.5959
• Log P: -0.5959
• Molar Refractivity: 10.843 cm^3
• Polarizability: 21.019081 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: insoluble
• Apperance: crystalline; powder
• Melting Point: 260-270 °C (dec.)(lit.)
• Density: 7.11 g/mL at 25 °C(lit.)

Safety Information

• RTECS: XG4000000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1707
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/28-33-51/53
• Safety Statements: 13-28-45-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P260-P264-P273-P284-P301 + P310-P310
• RID/ADR: UN 1707 6.1/PG 2

Product Information

• Purity: ≥99.99% trace metals basis; 99.9% trace metals basis
• Linear Formula: Tl2CO3

DETAILS

Sigma Aldrich - 255769

Packaging
10, 50 g in poly bottle

Sigma Aldrich - 333212

Packaging
10 g in glass bottle