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Molecule
Nickel(Ii) Iodide
CAS: 13462-90-3 · I2Ni
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13462-90-3
- Molecular Formula
- I2Ni
- Molecular Mass
- 312.50 g/mol
Identifiers
CAS Registry Number
13462-90-3
SMILES
[I-].[I-].[Ni+2]
InChI Key
BFSQJYRFLQUZKX-UHFFFAOYSA-L
InChI
InChI=1S/2HI.Ni/h2*1H;/q;;+2/p-2
Names and Synonyms
- Nickel(Ii) Iodide Synonym
- Nickel iodide (NiI2) Synonym
- Nickelous iodide Synonym
- Nickel diiodide Synonym
- Nickel(2+) iodide Synonym
- Nickel iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 312.50 g/mol | CAS Common Chemistry |
| 312.501 g/mol | RDKit | |
| 316.533 g/mol | chempirical lib | |
| Density | 5.83 g/cm³ | CAS Common Chemistry |
| 5.834 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nickel(II)_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Ni]I | CAS Common Chemistry |
| InChI | InChI=1S/2HI.Ni/h2*1H;/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=BFSQJYRFLQUZKX-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 780 °C | CAS Common Chemistry |
| Name | Nickel iodide (NiI2) | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | -5.9945 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 311.7442889 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 312.50 g/mol; density = 5.830 g/mL. Edit any field — others recompute live.
