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Molecule
Bismuth Tribromide
CAS: 7787-58-8 · BiBr3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7787-58-8
- Molecular Formula
- BiBr3
- Molecular Mass
- 448.69 g/mol
Identifiers
CAS Registry Number
7787-58-8
SMILES
[Bi+3].[Br-].[Br-].[Br-]
InChI Key
TXKAQZRUJUNDHI-UHFFFAOYSA-K
InChI
InChI=1S/Bi.3BrH/h;3*1H/q+3;;;/p-3
Names and Synonyms
- Bismuth Tribromide Common Name
- Bismuthine, tribromo- Synonym
- Bismuth bromide (BiBr3) Synonym
- Tribromobismuthine Synonym
- Bismuth tribromide Synonym
- Bismuth bromide Synonym
- Bismuth(III) bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 448.69 g/mol | CAS Common Chemistry |
| 448.692 g/mol | RDKit | |
| 454.74 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bismuth_tribromide | CAS Common Chemistry |
| Canonical SMILES | Br[Bi](Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/Bi.3BrH/h;3*1H/q+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=TXKAQZRUJUNDHI-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 219 °C | CAS Common Chemistry |
| Name | Bismuth bromide | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -9.3688 | RDKit |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 445.73540999999994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 448.69 g/mol. Edit any field — others recompute live.
