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Molecule
Fuming Sulfuric Acid
CAS: 8014-95-7 · H2O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 8014-95-7
- Molecular Formula
- H2O7S2
- Molecular Mass
- 178.14 g/mol
Identifiers
CAS Registry Number
8014-95-7
SMILES
O=S(=O)(O)O.O=S(=O)=O
InChI Key
HIFJUMGIHIZEPX-UHFFFAOYSA-N
InChI
InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4);
Names and Synonyms
- Fuming Sulfuric Acid Synonym
- Sulfuric acid, mixt. with sulfur trioxide Synonym
- Sulfur trioxide, mixt. contg. Synonym
- Oleum Synonym
- Sulfuric acid fuming Synonym
- Fuming sulfuric acid Synonym
- Oleum iodisum Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.14 g/mol | CAS Common Chemistry |
| 178.14299999999997 g/mol | RDKit | |
| 178.143 g/mol | RDKit | |
| 178.129 g/mol | chempirical lib | |
| Density | 1.90 g/cm³ | CAS Common Chemistry |
| 1.9 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)=O.O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=HIFJUMGIHIZEPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Fuming sulfuric acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 125.81 Ų | RDKit |
| LogP | -1.6568999999999998 | RDKit |
| -1.6569 | RDKit | |
| Molar Refractivity | 23.8746 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 177.92419440400002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 178.14 g/mol; density = 1.900 g/mL. Edit any field — others recompute live.
