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Barium Chloride, Dihydrate
CAS: 10326-27-9 | H4BaCl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10326-27-9
Molecular Formula:
H4BaCl2O2
Molecular Mass:
244.26 g/mol
Names and Synonyms:
Barium Chloride, Dihydrate
Barium chloride (BaCl2), dihydrate
Barium chloride, dihydrate
Barium dichloride dihydrate
Barium chloride (BaCl2) hydrate (1:2)
Identifiers:
SMILES:
O.O.[Ba+2].[Cl-].[Cl-]
InChI:
InChI=1S/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
Key Properties
Melting Point
113 °C
CAS Common Chemistry
Density
3.86 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 | 244.26 g/mol | CAS Common Chemistry |
| 244.264 g/mol | RDKit | |
| 243.864081928 g/mol | RDKit | |
| Density | 3.86 g/cm³ | CAS Common Chemistry |
| 3.86 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Ba]Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PWHCIQQGOQTFAE-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 113 °C | CAS Common Chemistry |
| Name | Barium chloride, 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 |
