Back to Search
Molecule
Iodine Monochloride
CAS: 7790-99-0 · ClI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7790-99-0
- Molecular Formula
- ClI
- Molecular Mass
- 162.36 g/mol
Identifiers
CAS Registry Number
7790-99-0
SMILES
ClI
InChI Key
QZRGKCOWNLSUDK-UHFFFAOYSA-N
InChI
InChI=1S/ClI/c1-2
Names and Synonyms
- Iodine Monochloride Common Name
- Iodine chloride (ICl) Synonym
- Wijs' chloride Synonym
- Iodine monochloride Synonym
- Chlorine iodide (ClI) Synonym
- Iodochlorine Synonym
- Chlorine iodide Synonym
- Iodine(I) chloride Synonym
- Chlorine monoiodide Synonym
- Iodine chloride Synonym
- Iodomonochloride Synonym
- Iodonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.36 g/mol | CAS Common Chemistry |
| 162.357 g/mol | RDKit | |
| 162.354 g/mol | chempirical lib | |
| Density | 3.10 g/cm³ | CAS Common Chemistry |
| 3.10 g/cm3 @ 29 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodine_monochloride | CAS Common Chemistry |
| Canonical SMILES | ClI | CAS Common Chemistry |
| InChI | InChI=1S/ClI/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=QZRGKCOWNLSUDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 27.19 °C | CAS Common Chemistry |
| Name | Iodine 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 | 1.5752000000000002 | RDKit |
| 1.5752 | RDKit | |
| Molar Refractivity | 19.872999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.87332568 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
Convert
Quick conversion
MW = 162.36 g/mol; density = 3.100 g/mL. Edit any field — others recompute live.
