$l^{1}-thallanylium acetate

• ChemBase ID: 108650
• Molecular Formular: C2H3O2Tl
• Molecular Mass: 263.42732
• Monoisotopic Mass: 263.98773134
• SMILES: [Tl+].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[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: $l^{1}-thallanylium acetate; λ^1-thallanylium acetate
• IUPAC Traditional name: thallium(1+) acetate ion; λ^1-thallanylium acetate
• Synonyms: Thallous acetate; Thallium(I) acetate, Puratronic®; THALLIUM ACETATE (OUS); TlOAc; Acetic acid thallium(I) salt; Thallium(I) acetate; 醋酸铊(I), Puratronic®; 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
• Merck Index: 149257
• PubChem SID: 162095513; 24848821
• PubChem CID: 11247

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, alcohol
• Apperance: Powder; Wet Crystalline Aggregates
• Melting Point: 124-128 °C; 131°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: AJ5425000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1707; UN1707
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 26/28-33-51/53; R:26/28-33
• Safety Statements: 13-28-45-61; S:13-28-45
• TSCA Listed: 是
• 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; P260-P301+P310-P304+P340-P320-P330-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1707 6.1/PG 2

Product Information

• Purity: ≥97.0%; ≥97.0% (NT); 99.995% (metals basis); 99.9985% (metals basis)
• Grade: purum
• Linear Formula: CH3COOTl

DETAILS

MP Biomedicals - 05208194

MP Biomedicals Rare Chemical collection