ethoxythallane

• ChemBase ID: 149018
• Molecular Formular: C2H5OTl
• Molecular Mass: 249.4438
• Monoisotopic Mass: 250.00846678
• SMILES: CCO[Tl]
• Canonical SMILES: CCO[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: ethoxythallane
• IUPAC Traditional name: ethoxythallane
• Synonyms: Ethanol thallium salt; Ethyl alcohol thallium(I) salt; Thallium monoethoxide; Thallous ethoxide; Thallium(I) ethoxide; 乙氧基亚铊; 乙醇铊(I)

Database IDs

• CAS Number: 20398-06-5
• EC Number: 243-786-2
• MDL Number: MFCD00009072
• PubChem SID: 24848978; 162243187
• PubChem CID: 16684436

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.0878
• LogD (pH = 7.4): -0.0878
• Log P: -0.0878
• Molar Refractivity: 13.3955 cm^3
• Polarizability: 13.205232 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 3.522 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.676(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• 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: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: TlOC2H5

DETAILS

Sigma Aldrich - 149845

Application
With HCl, reduces a variety of functional groups; stereoselective allylation of carbonyl compounds; in situ generation of tin enolates for directed aldol reactions.
Packaging
5, 25, 100 g in glass bottle