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Antimony Triiodide
CAS: 7790-44-5 | I3Sb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7790-44-5
Molecular Formula:
I3Sb
Molecular Mass:
502.47 g/mol
Names and Synonyms:
Antimony Triiodide
Stibine, triiodo-
Antimony iodide (SbI3)
Triiodostibine
Antimony triiodide
Identifiers:
SMILES:
[I-].[I-].[I-].[Sb+3]
InChI:
InChI=1S/3HI.Sb/h3*1H;/q;;;+3/p-3
Key Properties
Boiling Point
420 °C
CAS Common Chemistry
Melting Point
168 °C
CAS Common Chemistry
Density
4.92 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 | 502.47 g/mol | CAS Common Chemistry |
| 502.472 g/mol | RDKit | |
| 501.6172347 g/mol | RDKit | |
| Density | 4.92 g/cm³ | CAS Common Chemistry |
| 4.921 g/cm3 @ Temp: 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Antimony_triiodide | CAS Common Chemistry |
| Boiling Point | 420 °C | CAS Common Chemistry |
| Canonical SMILES | I[Sb](I)I | CAS Common Chemistry |
| InChI | InChI=1S/3HI.Sb/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=KWQLUUQBTAXYCB-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | Triiodostibine | CAS Common Chemistry |
| Antimony triiodide | 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 |
