Back to Search
Molecule
Barium Iodide
CAS: 13718-50-8 · BaI2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13718-50-8
- Molecular Formula
- BaI2
- Molecular Mass
- 391.14 g/mol
Identifiers
CAS Registry Number
13718-50-8
SMILES
[Ba+2].[I-].[I-]
InChI Key
SGUXGJPBTNFBAD-UHFFFAOYSA-L
InChI
InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2
Names and Synonyms
- Barium Iodide Common Name
- Barium iodide (BaI2) Synonym
- Barium iodide Synonym
- Barium diiodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 391.14 g/mol | CAS Common Chemistry |
| 391.7141932 g/mol | RDKit | |
| 391.136 g/mol | RDKit | |
| 395.167 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_iodide | CAS Common Chemistry |
| Canonical SMILES | I[Ba]I | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=SGUXGJPBTNFBAD-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium iodide | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | -6.3728 | RDKit |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 391.13599999999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 391.14 g/mol. Edit any field — others recompute live.
