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Boron Triiodide
CAS: 13517-10-7 | BI3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13517-10-7
Molecular Formula:
BI3
Molecular Mass:
391.52 g/mol
Names and Synonyms:
Boron Triiodide
Borane, triiodo-
Boron iodide (BI3)
Boron iodide
Triiodoborane
Boron triiodide
Triiodoboron
Identifiers:
SMILES:
IB(I)I
InChI:
InChI=1S/BI3/c2-1(3)4
Key Properties
Melting Point
2593 °C
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 | 391.52 g/mol | CAS Common Chemistry |
| 391.524 g/mol | RDKit | |
| 391.7227244 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Boron_triiodide | CAS Common Chemistry |
| Canonical SMILES | IB(I)I | CAS Common Chemistry |
| InChI | InChI=1S/BI3/c2-1(3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=YMEKEHSRPZAOGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2593 °C | CAS Common Chemistry |
| Name | Boron triiodide | 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 | 2.2763 | RDKit |
| Molar Refractivity | 47.81399999999999 | RDKit |
