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Sulfuric Acid
CAS: 7664-93-9 | H2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7664-93-9
Molecular Formula:
H2O4S
Molecular Mass:
98.08 g/mol
Names and Synonyms:
Sulfuric Acid
Sulfuric acid
BOV
Dipping acid
Oil of vitriol
Sulphuric acid
Vitriol brown oil
Dihydrogen sulfate
Contact acid
Brimstone acid
NSC 248648
NSC 38965
Ridolene 123
Aftec 3000
Sulfuric acids
Alkyl sulfates
Top Lucina HV-QB
ADWL 02
Top ADD 100
Exodo
Identifiers:
SMILES:
O=S(=O)(O)O
InChI:
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
Key Properties
Boiling Point
290 °C (approx)
CAS Common Chemistry
Melting Point
10.31 °C
CAS Common Chemistry
Density
1.80 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 | 98.08 g/mol | CAS Common Chemistry |
| 98.07899999999998 g/mol | RDKit | |
| 97.96737954400001 g/mol | RDKit | |
| Density | 1.80 g/cm³ | CAS Common Chemistry |
| 1.8 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfuric_acid | CAS Common Chemistry |
| Boiling Point | 290 °C (approx) | 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) | CAS Common Chemistry |
| InChI Key | InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10.31 °C | CAS Common Chemistry |
| Name | Sulfuric acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| LogP | -0.6527999999999998 | RDKit |
| Molar Refractivity | 14.1774 | RDKit |
