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Barium Iodide (Bai2), Dihydrate
CAS: 7787-33-9 | H4BaI2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7787-33-9
Molecular Formula:
H4BaI2O2
Molecular Mass:
427.17 g/mol
Names and Synonyms:
Barium Iodide (Bai2), Dihydrate
Barium iodide (BaI2), dihydrate
Barium iodide, dihydrate
Barium diiodide dihydrate
Identifiers:
SMILES:
O.O.[Ba+2].[I-].[I-]
InChI:
InChI=1S/Ba.2HI.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
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 | 427.17 g/mol | CAS Common Chemistry |
| 427.166 g/mol | RDKit | |
| 427.73532256799996 g/mol | RDKit | |
| Canonical SMILES | I[Ba]I.O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2HI.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=LRUCFPBOVNFNMO-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium iodide (BaI2), dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.0 Ų | RDKit |
| LogP | -8.022199999999998 | RDKit |
| Molar Refractivity | 12.981599999999998 | RDKit |
