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Molecule
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
Identifiers
CAS Registry Number
7789-33-5
SMILES
BrI
InChI Key
CBEQRNSPHCCXSH-UHFFFAOYSA-N
InChI
InChI=1S/BrI/c1-2
Names and Synonyms
- Iodine Monobromide Common Name
- Iodine bromide (IBr) Synonym
- Bromine iodide Synonym
- Iodine monobromide Synonym
- Bromiodide Synonym
- Iodobromide Synonym
- Bromoiodide Synonym
- Bromine monoiodide Synonym
- Iodobromine Synonym
- Iodomonobromide Synonym
- Bromine iodide (BrI) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.81 g/mol | CAS Common Chemistry |
| 206.808 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 205.8228101 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 206.81 g/mol. Edit any field — others recompute live.
