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Potassium Bromide
CAS: 7758-02-3 | BrK
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7758-02-3
Molecular Formula:
BrK
Molecular Weight:
119.002 g/mol
Names and Synonyms:
Potassium Bromide
Potassium bromide (KBr)
Potassium bromide
NSC 77367
Identifiers:
SMILES:
[Br-].[K+]
InChI:
InChI=1S/BrH.K/h1H;/q;+1/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 119.00 g/mol | Legacy Database |
| density | 2.75 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Potassium_bromide None | Legacy Database |
| cas-boiling-point | 1435 °C None | Legacy Database |
| cas-canonical-smile | [K]Br None | Legacy Database |
| cas-density | 2.75 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/BrH.K/h1H;/q;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=IOLCXVTUBQKXJR-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 730 °C None | Legacy Database |
| cas-name | Potassium bromide None | Legacy Database |
| wikipedia-name | Potassium bromide None | Legacy Database |
| LogP | -5.992 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.88204378 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.0 | RDKit |
