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Molecule
Mercury(I) Iodide
CAS: 15385-57-6 · Hg2I2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15385-57-6
- Molecular Formula
- Hg2I2
- Molecular Mass
- 654.99 g/mol
Identifiers
CAS Registry Number
15385-57-6
SMILES
[Hg+].[Hg+].[I-].[I-]
InChI Key
NDKKKEPYKOOXLG-UHFFFAOYSA-L
InChI
InChI=1S/2Hg.2HI/h;;2*1H/q2*+1;;/p-2
Names and Synonyms
- Mercury(I) Iodide Synonym
- Mercury iodide (Hg2I2) Synonym
- Mercurous iodide Synonym
- Yellow mercury iodide Synonym
- Mercury protoiodide Synonym
- Dimercury diiodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 654.99 g/mol | CAS Common Chemistry |
| 657.7502319999999 g/mol | RDKit | |
| 654.988 g/mol | RDKit | |
| 659.024 g/mol | chempirical lib | |
| Density | 7.70 g/cm³ | CAS Common Chemistry |
| 7.70 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mercury(I)_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Hg][Hg]I | CAS Common Chemistry |
| InChI | InChI=1S/2Hg.2HI/h;;2*1H/q2*+1;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=NDKKKEPYKOOXLG-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 290 °C | CAS Common Chemistry |
| Name | Mercury iodide (Hg2I2) | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -5.997 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 654.988 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 = 654.99 g/mol; density = 7.700 g/mL. Edit any field — others recompute live.
