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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:
250.45 g/mol
Names and Synonyms:
Ethanol, Thallium(1+) Salt (1:1)
Ethanol, thallium(1+) salt (1:1)
Ethyl alcohol, thallium(1+) salt
Ethanol, thallium(1+) salt
Thallium(I) ethoxide
Thallous ethoxide
Thallium(1+) ethoxide
Thallium monoethoxide
Thallium ethoxide
Ethoxythallium
Identifiers:
SMILES:
CCO.[Tl]
InChI:
InChI=1S/C2H6O.Tl/c1-2-3;/h3H,2H2,1H3;
Key Properties
Melting Point
-3 °C
CAS Common Chemistry
Density
3.49 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.45 g/mol | CAS Common Chemistry |
| 250.452 g/mol | RDKit | |
| 251.016292312 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 18.5138 | RDKit |
