Ethanol, thallium(1+) salt
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Basic information
- CAS
20398-06-5- Standard SMILES
CC[O-].[Tl+]- InChIKey
DZFYOYRNBGNPJW-UHFFFAOYSA-N- Molecular formula
- C2H5OTl
- Average molar mass
- 249.44 g/mol
- Monoisotopic mass
- 250.00847
Names & identifiers
- Preferred name
- Ethanol, thallium(1+) salt
- IUPAC
- ethanolate;thallium(1+)
- English name
- Thallium (I) ethoxide
- Molecular formula
- C2H5OTl
- Molecular weight
- 249.44
Names & synonyms
Thallous ethoxideETHANOL, THALLIUM(1+) SALTEthyl alcohol, thallium (I)thallium ethoxideDTXSID60890787RefChem:897598DTXCID201031159Thallium(I) ethoxideethanolate;thallium(1+)EINECS 243-786-2Thallium(1+) ethoxideC2H5OTl
Show more names
THALLIUMETHYLATEEthoxythallium(I)Thallium(I)ethylateTHALLIUM MONOETHYLATEThallous ethoxide,98%Ethanol thallium saltThallium monoethoxideThallium (I) ethoxide
SCHEMBL690956DB-045200
Database identifiers
- CAS
20398-06-5- PubChem CID
- 30143
- DTXSID
DTXSID60890787
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 2
Experimental & physicochemical properties
Physical DescriptionCloudy liquid with an odor of alcohol; [Strem Chemicals MSDS]
Physicochemical properties
- Melting point
- -3 °C · -3°C
- Boiling point
- 130 °C · 130°C
- Density
- 3.522 g/mL · 3.522 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.676(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly), Water (Soluble)
- form
- liquid
- Specific Gravity
- 3.493 · 3.493 (20℃)
- color
- cloudy, dense
- Sensitive
- Moisture Sensitive
- Exposure limits
- 0.02 mg/m3 · ACGIH: TWA 0.02 mg/m3 (Skin)NIOSH: IDLH 15 mg/m3; TWA 0.1 mg/m3
- InChI
- 1S/C2H5O.Tl/c1-2-3;/h2H2,1H3;/q-1;+1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Ethanol, thallium(1+) salt
Thallium (I) ethanolate: HSNO Approval: HSR006161 Approved with controls
Hazards SummaryReacts with water; An irritant; Toxic by ingestion and inhalation; May have cumulative adverse effects; [Strem Chemicals MSDS] See Thallium and the linked occupational disease.
Safety & protection
Threshold Limit Values (TLV)0.02 [mg/m3], inhalable fraction, as Tl
Permissible Exposure Limit (PEL)0.1 [mg/m3], as Tl
Immediately Dangerous to Life or Health (IDLH)15.0 [mg/m3], as Tl (soluble compounds)
Toxicology
Adverse EffectsNeurotoxin - Sensorimotor；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Regulatory information
Regulatory Information
Chemical: Ethanol, thallium(1+) salt
Thallium (I) ethanolate: HSNO Approval: HSR006161 Approved with controls
Safety data
Chemistry & industry
Applications
UsesThallium Ethoxide is used as a catalyst in suzuki cross coupling reactions.
UsesWith HCl, reduces a variety of functional groups; stereoselective allylation of carbonyl compounds; in situ generation of tin enolates for directed aldol reactions.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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