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Molecule
Gallium(Iii) Bromide
CAS: 13450-88-9 · Br3Ga
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13450-88-9
- Molecular Formula
- Br3Ga
- Molecular Mass
- 309.44 g/mol
Identifiers
CAS Registry Number
13450-88-9
SMILES
[Br-].[Br-].[Br-].[Ga+3]
InChI Key
SRVXDMYFQIODQI-UHFFFAOYSA-K
InChI
InChI=1S/3BrH.Ga/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Gallium(Iii) Bromide Synonym
- Gallium bromide (GaBr3) Synonym
- Gallium tribromide Synonym
- Tribromogallium Synonym
- Gallium bromide Synonym
- NSC 94001 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 309.44 g/mol | CAS Common Chemistry |
| 309.435 g/mol | RDKit | |
| 315.483 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gallium(III)_bromide | CAS Common Chemistry |
| Boiling Point | 279 °C | CAS Common Chemistry |
| Canonical SMILES | Br[Ga](Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/3BrH.Ga/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=SRVXDMYFQIODQI-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 122.5 °C | CAS Common Chemistry |
| Name | Gallium 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 | 305.68058490000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 309.44 g/mol. Edit any field — others recompute live.
