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Molecule
Sodium Bisulfite
CAS: 7631-90-5 · H2NaO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7631-90-5
- Molecular Formula
- H2NaO3S
- Molecular Mass
- 105.07 g/mol
Identifiers
CAS Registry Number
7631-90-5
SMILES
O=S(O)O.[Na]
InChI Key
UKTDQTGMXUHPIF-UHFFFAOYSA-N
InChI
InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)
Names and Synonyms
- Sodium Bisulfite Synonym
- Sulfurous acid, sodium salt (1:1) Synonym
- Sulfurous acid, monosodium salt Synonym
- Hydrogen sulfite sodium Synonym
- Sodium acid sulfite Synonym
- Sodium bisulfite Synonym
- Sodium bisulphite Synonym
- Sodium hydrogen sulfite Synonym
- Monosodium sulfite Synonym
- Sodium bisulfite (NaHSO3) Synonym
- FR-62 Synonym
- Sodium sulfite (NaHSO3) Synonym
- Hydrogen sodium sulfite Synonym
- E 222 Synonym
- HC 007 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.07 g/mol | CAS Common Chemistry |
| 105.06999999999998 g/mol | RDKit | |
| 106.071 g/mol | chempirical lib | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.48 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_bisulfite | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=UKTDQTGMXUHPIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium bisulfite | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.6997 | RDKit |
| Molar Refractivity | 19.154 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 104.96223420400001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 105.07 g/mol; density = 1.480 g/mL. Edit any field — others recompute live.
