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Molecule
Thallium(I) Bromide
CAS: 7789-40-4 · BrTl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7789-40-4
- Molecular Formula
- BrTl
- Molecular Mass
- 284.29 g/mol
Identifiers
CAS Registry Number
7789-40-4
SMILES
[Br-].[Tl+]
InChI Key
PGAPATLGJSQQBU-UHFFFAOYSA-M
InChI
InChI=1S/BrH.Tl/h1H;/q;+1/p-1
Names and Synonyms
- Thallium(I) Bromide Common Name
- Thallium bromide (TlBr) Synonym
- Thallium monobromide Synonym
- Thallous bromide Synonym
- Thallium bromide Synonym
- Thallium(I) bromide Synonym
- Thallium bromide (Tl2Br2) Synonym
- Thallium bromide (TlBr), dimer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.29 g/mol | CAS Common Chemistry |
| 284.28700000000003 g/mol | RDKit | |
| 284.287 g/mol | RDKit | |
| 286.3 g/mol | chempirical lib | |
| Density | 7.50 g/cm³ | CAS Common Chemistry |
| 7.50 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thallium(I)_bromide | CAS Common Chemistry |
| Boiling Point | 815 °C | CAS Common Chemistry |
| Canonical SMILES | Br[Tl] | CAS Common Chemistry |
| InChI | InChI=1S/BrH.Tl/h1H;/q;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PGAPATLGJSQQBU-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 460 °C | CAS Common Chemistry |
| Name | Thallium bromide (TlBr) | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -3.3768000000000002 | RDKit |
| -3.3768 | RDKit | |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 283.8927646 g/mol | RDKit |
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
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MW = 284.29 g/mol; density = 7.500 g/mL. Edit any field — others recompute live.
