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Molecule
Copper(I) Iodide
CAS: 7681-65-4 · CuI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7681-65-4
- Molecular Formula
- CuI
- Molecular Mass
- 190.45 g/mol
Identifiers
CAS Registry Number
7681-65-4
SMILES
[Cu+].[I-]
InChI Key
LSXDOTMGLUJQCM-UHFFFAOYSA-M
InChI
InChI=1S/Cu.HI/h;1H/q+1;/p-1
Names and Synonyms
- Copper(I) Iodide Synonym
- Copper iodide (CuI) Synonym
- Cuprous iodide Synonym
- Copper monoiodide Synonym
- Copper(I) iodide Synonym
- Cuprous iodide (CuI) Synonym
- Copper(1+) iodide Synonym
- TH-V Synonym
- Copper iodide (Cu0.5I0.5) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.45 g/mol | CAS Common Chemistry |
| 192.466 g/mol | chempirical lib | |
| Density | 5.67 g/cm³ | CAS Common Chemistry |
| 5.67 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(I)_iodide | CAS Common Chemistry |
| InChI | InChI=1S/Cu.HI/h;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=LSXDOTMGLUJQCM-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 606 °C | CAS Common Chemistry |
| Boiling Point | 1290 °C (approx) | CAS Common Chemistry |
| Canonical SMILES | [Cu]I | CAS Common Chemistry |
| Name | Cuprous 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 | -2.9985 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Exact Mass | 189.8340705 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 190.45 g/mol; density = 5.670 g/mL. Edit any field — others recompute live.
