Back to Search
Molecule
Ethanol, Thallium(1+) Salt (1:1)
CAS: 20398-06-5 · C2H6OTl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20398-06-5
- Molecular Formula
- C2H6OTl
- Molecular Mass
- 250.452 g/mol
Identifiers
CAS Registry Number
20398-06-5
SMILES
CCO.[Tl]
InChI Key
ZWYFUZVIDNRFQU-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O.Tl/c1-2-3;/h3H,2H2,1H3;
Names and Synonyms
- Ethanol, Thallium(1+) Salt (1:1) Synonym
- Ethanol, thallium(1+) salt (1:1) Synonym
- Ethyl alcohol, thallium(1+) salt Synonym
- Ethanol, thallium(1+) salt Synonym
- Thallium(I) ethoxide Synonym
- Thallous ethoxide Synonym
- Thallium(1+) ethoxide Synonym
- Thallium monoethoxide Synonym
- Thallium ethoxide Synonym
- Ethoxythallium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 3.49 g/cm³ | CAS Common Chemistry |
| 3.493 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Tl].OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O.Tl/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=ZWYFUZVIDNRFQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -3 °C | CAS Common Chemistry |
| Name | Ethanol, thallium(1+) salt (1:1) | CAS Common Chemistry |
| Molecular Mass | 250.452 g/mol | RDKit |
| 251.016292312 g/mol | RDKit | |
| 251.457 g/mol | chempirical lib | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.38220000000000004 | RDKit |
| -0.3822 | RDKit | |
| Molar Refractivity | 18.5138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 250.45 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 250.45 g/mol; density = 3.490 g/mL. Edit any field — others recompute live.
