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Molecule
Indium(Iii) Iodide
CAS: 13510-35-5 · I3In
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13510-35-5
- Molecular Formula
- I3In
- Molecular Mass
- 495.53 g/mol
Identifiers
CAS Registry Number
13510-35-5
SMILES
[I-].[I-].[I-].[In+3]
InChI Key
RMUKCGUDVKEQPL-UHFFFAOYSA-K
InChI
InChI=1S/3HI.In/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Indium(Iii) Iodide Synonym
- Indium iodide (InI3) Synonym
- Indium triiodide Synonym
- Indium iodide Synonym
- Indium(III) iodide Synonym
- Triiodoindium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 4.66 g/cm³ | CAS Common Chemistry |
| 4.66 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Indium(III)_iodide | CAS Common Chemistry |
| Canonical SMILES | I[In](I)I | CAS Common Chemistry |
| InChI | InChI=1S/3HI.In/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=RMUKCGUDVKEQPL-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 198 °C | CAS Common Chemistry |
| Name | Indium triiodide | CAS Common Chemistry |
| Molecular Mass | 495.53 g/mol | RDKit |
| 495.617297 g/mol | RDKit | |
| 501.578 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 | -9.3688 | RDKit |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 495.53 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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 = 495.53 g/mol; density = 4.660 g/mL. Edit any field — others recompute live.
