Back to Search
Sodium Bromate
CAS: 7789-38-0 | HBrNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-38-0
Molecular Formula:
HBrNaO3
Molecular Weight:
151.899 g/mol
Names and Synonyms:
Sodium Bromate
Sodium bromate (NaBrO3)
Neutralizer K 938
Neutralizer K 140
Neutralizer K 126
Sodium bromate
Bromic acid, sodium salt
Bromic acid, sodium salt (1:1)
Identifiers:
SMILES:
[Na].[O-][Br+2]([O-])O
InChI:
InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.90 g/mol | Legacy Database |
| density | 3.34 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_bromate | Legacy Database | |
| cas-canonical-smile | [Na].O=Br(=O)O | Legacy Database | |
| cas-density | 3.339 g/cm3 @ Temp: 17.5 °C | Legacy Database | |
| cas-inchi | InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4); | Legacy Database | |
| cas-inchi-key | InChIKey=VCHARIXNQOMKDN-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 381 °C | Legacy Database | |
| cas-name | Sodium bromate | Legacy Database | |
| wikipedia-name | Sodium bromate | Legacy Database | |
| LogP | -3.3158 | RDKit | |
| Molecular | Molecular Weight | 151.899 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.900675272 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 66.35 Ų | RDKit |
| Molar | Molar Refractivity | 7.972799999999999 | RDKit |
