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Ammonium Bisulfate
CAS: 7803-63-6 | H5NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7803-63-6
Molecular Formula:
H5NO4S
Molecular Mass:
115.11 g/mol
Names and Synonyms:
Ammonium Bisulfate
Sulfuric acid, ammonium salt (1:1)
Sulfuric acid, monoammonium salt
Ammonium sulfate ((NH4)HSO4)
Acid ammonium sulfate
Ammonium acid sulfate
Ammonium bisulfate
Ammonium hydrogen sulfate
Monoammonium sulfate
Monoammonium hydrogen sulfate
Ammonium hydrogen sulfate (NH4HSO4)
Ammonium monohydrogen sulfate
Identifiers:
SMILES:
N.O=S(=O)(O)O
InChI:
InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)
Key Properties
Boiling Point
358.8 °C
CAS Common Chemistry
Melting Point
211 °C (decomp) @ Solvent: Water
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.11 g/mol | CAS Common Chemistry |
| 115.10999999999999 g/mol | RDKit | |
| 114.99392864000001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_bisulfate | CAS Common Chemistry |
| Boiling Point | 358.8 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=BIGPRXCJEDHCLP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 211 °C (decomp) @ Solvent: Water | CAS Common Chemistry |
| Name | Ammonium bisulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 109.60000000000001 Ų | RDKit |
| LogP | -0.49079999999999974 | RDKit |
| Molar Refractivity | 19.1995 | RDKit |
