thallanyl acetate

• ChemBase ID: 136686
• Molecular Formular: C2H3O2Tl
• Molecular Mass: 263.42732
• Monoisotopic Mass: 263.98773134
• SMILES: CC(=O)O[Tl]
• Canonical SMILES: CC(=O)O[Tl]
• InChI: InChI=1S/C2H4O2.Tl/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
• InChIKey: HQOJMTATBXYHNR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: thallanyl acetate
• IUPAC Traditional name: thallanyl acetate
• Synonyms: Acetic acid thallium(I) salt; Thallium(I) acetate; 乙酸 铊(I) 盐; 醋酸铊(I)

Database IDs

• CAS Number: 563-68-8
• EC Number: 209-257-5
• MDL Number: MFCD00013045
• Beilstein Number: 3693914
• PubChem SID: 162230956; 24900517
• PubChem CID: 16684842

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.6787
• LogD (pH = 7.4): -0.6787
• Log P: -0.6787
• Molar Refractivity: 13.3161 cm^3
• Polarizability: 13.485213 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

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
• RID/ADR: UN 1707 6.1/PG 2

Product Information

• Purity: ≥99%
• Linear Formula: CH3COOTl

DETAILS

Sigma Aldrich - T8266

Packaging
5, 25, 100 g in glass bottle