λ1-thallanylium ethanolate

• ChemBase ID: 303868
• Molecular Formular: C2H5OTl
• Molecular Mass: 249.4438
• Monoisotopic Mass: 250.00846678
• SMILES: CC[O-].[Tl+]
• Canonical SMILES: [O-]CC.[Tl+]
• InChI: InChI=1S/C2H5O.Tl/c1-2-3;/h2H2,1H3;/q-1;+1
• InChIKey: DZFYOYRNBGNPJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-thallanylium ethanolate
• IUPAC Traditional name: λ^1-thallanylium ethoxide
• Synonyms: Thallium(I) ethoxide; 乙醇铊(I)

Database IDs

• CAS Number: 20398-06-5
• EC Number: 243-786-2
• MDL Number: MFCD00009072

CALCULATED PROPERTIES

• Acid pKa: 16.470615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• Molar Refractivity: 23.5602 cm^3
• Polarizability: 4.748913 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -3°C
• Boiling Point: 130°C dec.
• Flash Point: >110°C(230°F)
• Density: 3.493
• Refractive Index: 1.6714

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: KM2940000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/28-33-51/53
• Safety Statements: 13-28-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P273-P302+P352-P309-P310-P420A-P501A

Product Information

• Purity: 98%