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Fluorosulfuric Acid
CAS: 7789-21-1 | HFO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-21-1
Molecular Formula:
HFO3S
Molecular Weight:
100.07 g/mol
Names and Synonyms:
Fluorosulfuric Acid
Fluosulfuric acid
Monofluorosulfuric acid
Fluorosulfuric acid (HSO3F)
Fluorosulfonic acid
Fluosulfonic acid
Fluorosulfuric acid
Identifiers:
SMILES:
O=S(=O)(O)F
InChI:
InChI=1S/FHO3S/c1-5(2,3)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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 100.07 g/mol | Legacy Database |
| density | 1.73 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Fluorosulfuric_acid None | Legacy Database |
| cas-boiling-point | 163 °C @ Press: 760 Torr None | Legacy Database |
| cas-density | 1.726 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=UQSQSQZYBQSBJZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -89 °C None | Legacy Database |
| cas-name | Fluorosulfuric acid None | Legacy Database |
| wikipedia-name | Fluorosulfuric acid None | Legacy Database |
| LogP | -0.2412999999999999 | RDKit |
| cas-canonical-smile | O=S(=O)(F)O None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 100.07 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.96304311200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 54.370000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.656600000000001 | RDKit |
