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Sodium Perchlorate Monohydrate
CAS: 7791-07-3 | H3ClNaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7791-07-3
Molecular Formula:
H3ClNaO5
Molecular Weight:
141.462 g/mol
Names and Synonyms:
Sodium Perchlorate Monohydrate
Sodium perchlorate (NaClO4) monohydrate
Sodium perchlorate monohydrate
Perchloric acid, sodium salt, monohydrate
Identifiers:
SMILES:
O.[Na].[O-][Cl+3]([O-])([O-])O
InChI:
InChI=1S/ClHO4.Na.H2O/c2-1(3,4)5;;/h(H,2,3,4,5);;1H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 141.46 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=Cl(=O)(=O)O.O None | Legacy Database |
| cas-inchi | InChI=1S/ClHO4.Na.H2O/c2-1(3,4)5;;/h(H,2,3,4,5);;1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SOAFTOVKEPSSML-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 472 °C None | Legacy Database |
| cas-name | Sodium perchlorate monohydrate None | Legacy Database |
| LogP | -5.329499999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.462 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.956670156 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 120.91000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.586599999999999 | RDKit |
