Back to Search
Sulfuric Acid-D2
CAS: 13813-19-9 | H2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13813-19-9
Molecular Formula:
H2O4S
Molecular Mass:
100.09 g/mol
Names and Synonyms:
Sulfuric Acid-D2
Sulfuric acid-d2
Deuterosulfuric acid
Perdeuteriosulfuric acid
Sulfuric acid (D2SO4)
Perdeuterated sulfuric acid
Identifiers:
SMILES:
[2H]OS(=O)(=O)O[2H]
InChI:
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/i/hD2
Key Properties
Boiling Point
323.6 °C
CAS Common Chemistry
Melting Point
-39 °C
CAS Common Chemistry
Density
1.86 g/cm³
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 | 100.09 g/mol | CAS Common Chemistry |
| 100.09120355599998 g/mol | RDKit | |
| 99.979933036 g/mol | RDKit | |
| Density | 1.86 g/cm³ | CAS Common Chemistry |
| 1.8573 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 323.6 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/i/hD2 | CAS Common Chemistry |
| InChI Key | InChIKey=QAOWNCQODCNURD-ZSJDYOACSA-N | CAS Common Chemistry |
| Melting Point | -39 °C | CAS Common Chemistry |
| Name | Sulfuric acid-d2 | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -0.6528 | RDKit |
| Molar Refractivity | 14.1774 | RDKit |
