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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
Names and Synonyms:
Indium(Iii) Iodide
Indium iodide (InI3)
Indium triiodide
Indium iodide
Indium(III) iodide
Triiodoindium
Identifiers:
SMILES:
[I-].[I-].[I-].[In+3]
InChI:
InChI=1S/3HI.In/h3*1H;/q;;;+3/p-3
Key Properties
Melting Point
198 °C
CAS Common Chemistry
Density
4.66 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 495.53 g/mol | CAS Common Chemistry |
| 495.617297 g/mol | RDKit | |
| Density | 4.66 g/cm³ | CAS Common Chemistry |
| 4.66 g/cm3 @ Temp: 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 |
| Indium(III) iodide | 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 | -9.3688 | RDKit |
| Molar Refractivity | 5.754 | RDKit |
