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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
Names and Synonyms:
Thallium(I) Bromide
Thallium bromide (TlBr)
Thallium monobromide
Thallous bromide
Thallium bromide
Thallium(I) bromide
Thallium bromide (Tl2Br2)
Thallium bromide (TlBr), dimer
Identifiers:
SMILES:
[Br-].[Tl+]
InChI:
InChI=1S/BrH.Tl/h1H;/q;+1/p-1
Key Properties
Boiling Point
815 °C
CAS Common Chemistry
Melting Point
460 °C
CAS Common Chemistry
Density
7.50 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 | 284.29 g/mol | CAS Common Chemistry |
| 284.28700000000003 g/mol | RDKit | |
| 283.8927646 g/mol | RDKit | |
| 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 |
| Thallium(I) bromide | 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 |
| Molar Refractivity | 5.754 | RDKit |
