bis(acetyloxy)thallanyl acetate

• ChemBase ID: 148944
• Molecular Formular: C6H9O6Tl
• Molecular Mass: 381.51536
• Monoisotopic Mass: 382.01434001
• SMILES: CC(=O)O[Tl](OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)O[Tl](OC(=O)C)OC(=O)C
• InChI: InChI=1S/3C2H4O2.Tl/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: SMRRYUGQTFYZGD-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)thallanyl acetate
• IUPAC Traditional name: bis(acetyloxy)thallanyl acetate
• Synonyms: Tl(OAc)3; thallic acetate; tris(acetate)thallium; Thallium(III) acetate; 乙酸铊(III)

Database IDs

• CAS Number: 2570-63-0
• EC Number: 219-913-2
• MDL Number: MFCD00008698
• PubChem SID: 24849096; 162243114
• PubChem CID: 16685266

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1401
• LogD (pH = 7.4): -0.1401
• Log P: -0.1401
• Molar Refractivity: 35.1483 cm^3
• Polarizability: 22.545073 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 °C (dec.)(lit.)

Safety Information

• 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1707 6.1/PG 2

Product Information

• Impurities: ≤10% acetic acid(may contain)
• Linear Formula: (CH3COO)3Tl

DETAILS

Sigma Aldrich - 151165

Packaging
5, 25 g in glass bottle