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Molecule
Ruthenium Iodide (Rui3)
CAS: 13896-65-6 · I3Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13896-65-6
- Molecular Formula
- I3Ru
- Molecular Mass
- 481.782 g/mol
Identifiers
CAS Registry Number
13896-65-6
SMILES
[I-].[I-].[I-].[Ru+3]
InChI Key
LJZVDOUZSMHXJH-UHFFFAOYSA-K
InChI
InChI=1S/3HI.Ru/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Ruthenium Iodide (Rui3) Common Name
- Ruthenium iodide (RuI3) Synonym
- Ruthenium triiodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Ruthenium(III)_iodide | CAS Common Chemistry |
| Density | 5.25 g/cm³ | CAS Common Chemistry |
| 5.25 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | I[Ru](I)I | CAS Common Chemistry |
| InChI | InChI=1S/3HI.Ru/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=LJZVDOUZSMHXJH-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Ruthenium iodide (RuI3) | CAS Common Chemistry |
| Molecular Mass | 481.782 g/mol | RDKit |
| 482.6177683 g/mol | RDKit | |
| 487.83 g/mol | chempirical lib | |
| 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 | -8.990499999999999 | RDKit |
| -8.9905 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 481.78 g/mol | CAS Common Chemistry |
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
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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 = 481.78 g/mol; density = 5.250 g/mL. Edit any field — others recompute live.
