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Barium Chloride
CAS: 10361-37-2 | BaCl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10361-37-2
Molecular Formula:
BaCl2
Molecular Mass:
208.23 g/mol
Names and Synonyms:
Barium Chloride
Barium chloride (BaCl2)
Barium chloride
Barium dichloride
Ba 0108E
NSC 146181
Identifiers:
SMILES:
[Ba+2].[Cl-].[Cl-]
InChI:
InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2
Key Properties
Boiling Point
1560 °C
CAS Common Chemistry
Melting Point
962 °C
CAS Common Chemistry
Density
3.90 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 | 208.23 g/mol | CAS Common Chemistry |
| 208.234 g/mol | RDKit | |
| 207.84295256 g/mol | RDKit | |
| Density | 3.90 g/cm³ | CAS Common Chemistry |
| 3.9 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_chloride | CAS Common Chemistry |
| Boiling Point | 1560 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Ba]Cl | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=WDIHJSXYQDMJHN-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 962 °C | CAS Common Chemistry |
| Name | Barium chloride | 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 | RDKit |
