Back to Search
Iodine Monobromide
CAS: 7789-33-5 | BrI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-33-5
Molecular Formula:
BrI
Molecular Mass:
206.81 g/mol
Names and Synonyms:
Iodine Monobromide
Iodine bromide (IBr)
Bromine iodide
Iodine monobromide
Bromiodide
Iodobromide
Bromoiodide
Bromine monoiodide
Iodobromine
Iodomonobromide
Bromine iodide (BrI)
Identifiers:
SMILES:
BrI
InChI:
InChI=1S/BrI/c1-2
Key Properties
Melting Point
278-279 °C (decomp)
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 | 206.81 g/mol | CAS Common Chemistry |
| 206.808 g/mol | RDKit | |
| 205.8228101 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodine_monobromide | CAS Common Chemistry |
| Canonical SMILES | BrI | CAS Common Chemistry |
| InChI | InChI=1S/BrI/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=CBEQRNSPHCCXSH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 278-279 °C (decomp) | CAS Common Chemistry |
| Name | Iodine bromide (IBr) | CAS Common Chemistry |
| Iodine monobromide | 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 | 1.7313 | RDKit |
| Molar Refractivity | 22.947 | RDKit |
