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Molecule
Barium Nitrite
CAS: 13465-94-6 · HBaNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13465-94-6
- Molecular Formula
- HBaNO2
- Molecular Mass
- 184.341 g/mol
Identifiers
CAS Registry Number
13465-94-6
SMILES
O=NO.[Ba]
InChI Key
LWKOEUUJVWDFGY-UHFFFAOYSA-N
InChI
InChI=1S/Ba.HNO2/c;2-1-3/h;(H,2,3)
Names and Synonyms
- Barium Nitrite Synonym
- Nitrous acid, barium salt (2:1) Synonym
- Nitrous acid, barium salt Synonym
- Barium nitrite Synonym
- Barium nitrite (Ba(NO2)2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.459 g/cm3 @ 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 |
| Molecular Mass | 184.341 g/mol | RDKit |
| 184.905975472 g/mol | RDKit | |
| 186.356 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 184.34 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 184.34 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
