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Thallium(I) Carbonate
CAS: 6533-73-9 | CH2O3Tl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6533-73-9
Molecular Formula:
CH2O3Tl2
Molecular Mass:
470.79 g/mol
Names and Synonyms:
Thallium(I) Carbonate
Carbonic acid, thallium(1+) salt (1:2)
Carbonic acid, dithallium(1+) salt
Thallium carbonate
Thallous carbonate
Dithallium carbonate
Thallium carbonate (Tl2CO3)
Thallium(1+) carbonate
Identifiers:
SMILES:
O=C(O)O.[Tl].[Tl]
InChI:
InChI=1S/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);;
Key Properties
Melting Point
272 °C
CAS Common Chemistry
Density
7.10 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 | 470.79 g/mol | CAS Common Chemistry |
| 470.7900000000001 g/mol | RDKit | |
| 471.94924892399996 g/mol | RDKit | |
| Density | 7.10 g/cm³ | CAS Common Chemistry |
| 7.1 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thallium(I)_carbonate | CAS Common Chemistry |
| Canonical SMILES | [Tl].O=C(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);; | CAS Common Chemistry |
| InChI Key | InChIKey=PXBVNKRNJLPICM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 272 °C | CAS Common Chemistry |
| Name | Carbonic acid, thallium(1+) salt (1:2) | CAS Common Chemistry |
| Thallium(I) carbonate | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.5391999999999999 | RDKit |
| Molar Refractivity | 22.1616 | RDKit |
