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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
Names and Synonyms:
Copper(I) Iodide
Copper iodide (CuI)
Cuprous iodide
Copper monoiodide
Copper(I) iodide
Cuprous iodide (CuI)
Copper(1+) iodide
TH-V
Copper iodide (Cu0.5I0.5)
Identifiers:
SMILES:
[Cu+].[I-]
InChI:
InChI=1S/Cu.HI/h;1H/q+1;/p-1
Key Properties
Boiling Point
1290 °C (approx)
CAS Common Chemistry
Melting Point
606 °C
CAS Common Chemistry
Density
5.67 g/cm³
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 | 190.45 g/mol | CAS Common Chemistry |
| 189.8340705 g/mol | RDKit | |
| 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 |
| Copper(I) 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 | RDKit |
