Back to Search
Boron Tribromide
CAS: 10294-33-4 | BBr3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10294-33-4
Molecular Formula:
BBr3
Molecular Mass:
250.52 g/mol
Names and Synonyms:
Boron Tribromide
Borane, tribromo-
Boron bromide (BBr3)
Tribromoborane
Boron bromide
Boron tribromide
Tribromoboron
Boron(III) bromide
Identifiers:
SMILES:
BrB(Br)Br
InChI:
InChI=1S/BBr3/c2-1(3)4
Key Properties
Boiling Point
90 °C
CAS Common Chemistry
Melting Point
-46.0 °C
CAS Common Chemistry
Density
2.64 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 | 250.52 g/mol | CAS Common Chemistry |
| 250.524 g/mol | RDKit | |
| 247.76431670000002 g/mol | RDKit | |
| Density | 2.64 g/cm³ | CAS Common Chemistry |
| 2.6431 g/cm3 @ Temp: 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 | RDKit |
