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Barium Nitrite
CAS: 13465-94-6 | HBaNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13465-94-6
Molecular Formula:
HBaNO2
Molecular Mass:
184.34 g/mol
Names and Synonyms:
Barium Nitrite
Nitrous acid, barium salt (2:1)
Nitrous acid, barium salt
Barium nitrite
Barium nitrite (Ba(NO2)2)
Identifiers:
SMILES:
O=NO.[Ba]
InChI:
InChI=1S/Ba.HNO2/c;2-1-3/h;(H,2,3)
Key Properties
Melting Point
277 °C
CAS Common Chemistry
Density
1.46 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 | 184.34 g/mol | CAS Common Chemistry |
| 184.341 g/mol | RDKit | |
| 184.905975472 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.459 g/cm3 @ Temp: 80 °C | CAS Common Chemistry | |
| Canonical SMILES | [Ba].O=NO | CAS Common Chemistry |
| InChI | InChI=1S/Ba.HNO2/c;2-1-3/h;(H,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=LWKOEUUJVWDFGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 277 °C | CAS Common Chemistry |
| Name | Barium nitrite | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | -0.2388 | RDKit |
| Molar Refractivity | 13.3355 | RDKit |
