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Bismuth(Iii) Iodide
CAS: 7787-64-6 | BiI3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7787-64-6
Molecular Formula:
BiI3
Molecular Mass:
589.69 g/mol
Names and Synonyms:
Bismuth(Iii) Iodide
Bismuthine, triiodo-
Bismuth iodide (BiI3)
Triiodobismuthine
Bismuth triiodide
Bismuth iodide
Triiodobismuth
NSC 103681
Bismuth(III) iodide
Identifiers:
SMILES:
[Bi+3].[I-].[I-].[I-]
InChI:
InChI=1S/Bi.3HI/h;3*1H/q+3;;;/p-3
Key Properties
Boiling Point
500 °C
CAS Common Chemistry
Melting Point
408 °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 | 589.69 g/mol | CAS Common Chemistry |
| 589.692 g/mol | RDKit | |
| 589.6938177 g/mol | RDKit | |
| 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 |
| Bismuth(III) iodide | 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 | -9.3688 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
