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Molecule
Arsenic Triiodide
CAS: 7784-45-4 · AsI3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7784-45-4
- Molecular Formula
- AsI3
- Molecular Mass
- 455.634 g/mol
Identifiers
CAS Registry Number
7784-45-4
SMILES
I[As](I)I
InChI Key
IKIBSPLDJGAHPX-UHFFFAOYSA-N
InChI
InChI=1S/AsI3/c2-1(3)4
Names and Synonyms
- Arsenic Triiodide Common Name
- Arsenous triiodide Synonym
- Arsenic iodide (AsI3) Synonym
- Arsenous iodide Synonym
- Arsenic triiodide Synonym
- Triiodoarsine Synonym
- Arsenic(III) iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 4.69 g/cm³ | CAS Common Chemistry |
| 4.688 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arsenic_triiodide | CAS Common Chemistry |
| Boiling Point | 424 °C | CAS Common Chemistry |
| Canonical SMILES | I[As](I)I | CAS Common Chemistry |
| InChI | InChI=1S/AsI3/c2-1(3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=IKIBSPLDJGAHPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140.9 °C | CAS Common Chemistry |
| Name | Arsenic iodide (AsI3) | CAS Common Chemistry |
| Molecular Mass | 455.634 g/mol | RDKit |
| 455.6350155 g/mol | RDKit | |
| 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 | 2.2763 | RDKit |
| Molar Refractivity | 47.81399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 455.63 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 455.63 g/mol; density = 4.690 g/mL. Edit any field — others recompute live.
