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Molecule
Boron Tribromide
CAS: 10294-33-4 · BBr3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10294-33-4
- Molecular Formula
- BBr3
- Molecular Mass
- 250.52 g/mol
Identifiers
CAS Registry Number
10294-33-4
SMILES
BrB(Br)Br
InChI Key
ILAHWRKJUDSMFH-UHFFFAOYSA-N
InChI
InChI=1S/BBr3/c2-1(3)4
Names and Synonyms
- Boron Tribromide Synonym
- Borane, tribromo- Synonym
- Boron bromide (BBr3) Synonym
- Tribromoborane Synonym
- Boron bromide Synonym
- Boron tribromide Synonym
- Tribromoboron Synonym
- Boron(III) bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.52 g/mol | CAS Common Chemistry |
| 250.524 g/mol | RDKit | |
| 250.522 g/mol | chempirical lib | |
| Density | 2.64 g/cm³ | CAS Common Chemistry |
| 2.6431 g/cm3 @ 18.4 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Boron_tribromide | CAS Common Chemistry |
| Boiling Point | 90 °C | CAS Common Chemistry |
| Canonical SMILES | BrB(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/BBr3/c2-1(3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=ILAHWRKJUDSMFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -46.0 °C | CAS Common Chemistry |
| Name | Boron tribromide | 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 | 2.156 | RDKit |
| Molar Refractivity | 32.535 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 247.76431670000002 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 = 250.52 g/mol; density = 2.640 g/mL. Edit any field — others recompute live.
