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Molecule
Bismuth(Iii) Iodide
CAS: 7787-64-6 · BiI3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7787-64-6
- Molecular Formula
- BiI3
- Molecular Mass
- 589.692 g/mol
Identifiers
CAS Registry Number
7787-64-6
SMILES
[Bi+3].[I-].[I-].[I-]
InChI Key
KOECRLKKXSXCPB-UHFFFAOYSA-K
InChI
InChI=1S/Bi.3HI/h;3*1H/q+3;;;/p-3
Names and Synonyms
- Bismuth(Iii) Iodide Common Name
- Bismuthine, triiodo- Synonym
- Bismuth iodide (BiI3) Synonym
- Triiodobismuthine Synonym
- Bismuth triiodide Synonym
- Bismuth iodide Synonym
- Triiodobismuth Synonym
- NSC 103681 Synonym
- Bismuth(III) iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Bismuth(III)_iodide | CAS Common Chemistry |
| Boiling Point | 500 °C | CAS Common Chemistry |
| Canonical SMILES | I[Bi](I)I | CAS Common Chemistry |
| InChI | InChI=1S/Bi.3HI/h;3*1H/q+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=KOECRLKKXSXCPB-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 408 °C | CAS Common Chemistry |
| Name | Bismuth triiodide | CAS Common Chemistry |
| Molecular Mass | 589.692 g/mol | RDKit |
| 589.6938177 g/mol | RDKit | |
| 595.74 g/mol | chempirical lib | |
| 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 | -9.3688 | RDKit |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 589.69 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 589.69 g/mol. Edit any field — others recompute live.
