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Iodine Tribromide
CAS: 7789-58-4 | Br3I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-58-4
Molecular Formula:
Br3I
Molecular Mass:
366.62 g/mol
Names and Synonyms:
Iodine Tribromide
Iodine bromide (IBr3)
Iodine tribromide
Identifiers:
SMILES:
BrI(Br)Br
InChI:
InChI=1S/Br3I/c1-4(2)3
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 | 366.62 g/mol | CAS Common Chemistry |
| 366.616 g/mol | RDKit | |
| 363.65948430000003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodine_tribromide | CAS Common Chemistry |
| Canonical SMILES | BrI(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/Br3I/c1-4(2)3 | CAS Common Chemistry |
| InChI Key | InChIKey=FXOJASSPEGUXFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Iodine bromide (IBr3) | CAS Common Chemistry |
| Iodine 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 | 3.4225000000000003 | RDKit |
| Molar Refractivity | 40.801 | RDKit |
