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Molecule
Caesium Iodide
CAS: 7789-17-5 · CsI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7789-17-5
- Molecular Formula
- CsI
- Molecular Mass
- 259.81 g/mol
Identifiers
CAS Registry Number
7789-17-5
SMILES
[Cs+].[I-]
InChI Key
XQPRBTXUXXVTKB-UHFFFAOYSA-M
InChI
InChI=1S/Cs.HI/h;1H/q+1;/p-1
Names and Synonyms
- Caesium Iodide Common Name
- Cesium iodide Synonym
- NSC 15199 Synonym
- Cesium iodide (CsI) Synonym
- Cesium monoiodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 259.81 g/mol | CAS Common Chemistry |
| 259.8099249 g/mol | RDKit | |
| 259.809 g/mol | RDKit | |
| 261.825 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caesium_iodide | CAS Common Chemistry |
| Boiling Point | 1300 °C | CAS Common Chemistry |
| Canonical SMILES | I[Cs] | CAS Common Chemistry |
| InChI | InChI=1S/Cs.HI/h;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=XQPRBTXUXXVTKB-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 621 °C | CAS Common Chemistry |
| Name | Cesium iodide | 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 | -5.992 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 259.80899999999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 259.81 g/mol. Edit any field — others recompute live.
