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Gallium(Iii) Iodide
CAS: 13450-91-4 | GaI3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13450-91-4
Molecular Formula:
GaI3
Molecular Mass:
450.44 g/mol
Names and Synonyms:
Gallium(Iii) Iodide
Gallium iodide (GaI3)
Gallium triiodide
Triiodogallium
Gallium iodide
NSC 94003
Identifiers:
SMILES:
[Ga+3].[I-].[I-].[I-]
InChI:
InChI=1S/Ga.3HI/h;3*1H/q+3;;;/p-3
Key Properties
Boiling Point
345 °C
CAS Common Chemistry
Melting Point
212 °C
CAS Common Chemistry
Density
4.15 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 | 450.44 g/mol | CAS Common Chemistry |
| 450.435 g/mol | RDKit | |
| 449.6389926 g/mol | RDKit | |
| Density | 4.15 g/cm³ | CAS Common Chemistry |
| 4.15 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gallium(III)_iodide | CAS Common Chemistry |
| Boiling Point | 345 °C | CAS Common Chemistry |
| Canonical SMILES | I[Ga](I)I | CAS Common Chemistry |
| InChI | InChI=1S/Ga.3HI/h;3*1H/q+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=DWRNSCDYNYYYHT-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 212 °C | CAS Common Chemistry |
| Name | Gallium iodide | CAS Common Chemistry |
| Gallium(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 |
