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Molecule
Caesium Chloride
CAS: 7647-17-8 · ClCs
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7647-17-8
- Molecular Formula
- ClCs
- Molecular Mass
- 168.36 g/mol
Identifiers
CAS Registry Number
7647-17-8
SMILES
[Cl-].[Cs+]
InChI Key
AIYUHDOJVYHVIT-UHFFFAOYSA-M
InChI
InChI=1S/ClH.Cs/h1H;/q;+1/p-1
Names and Synonyms
- Caesium Chloride Synonym
- Cesium chloride (CsCl) Synonym
- Cesium monochloride Synonym
- Cesium chloride Synonym
- NSC 15198 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.36 g/mol | CAS Common Chemistry |
| 168.358 g/mol | RDKit | |
| 170.371 g/mol | chempirical lib | |
| Density | 3.99 g/cm³ | CAS Common Chemistry |
| 3.988 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caesium_chloride | CAS Common Chemistry |
| Canonical SMILES | Cl[Cs] | CAS Common Chemistry |
| InChI | InChI=1S/ClH.Cs/h1H;/q;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=AIYUHDOJVYHVIT-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 646 °C | CAS Common Chemistry |
| Name | Cesium chloride | 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 | 167.87430458 g/mol | RDKit |
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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Quick conversion
MW = 168.36 g/mol; density = 3.990 g/mL. Edit any field — others recompute live.
