Benzenesulfonic acid, 4-ethyl-3-nitro-
4-ethyl-3-nitrobenzenesulfonic acid
Also Known As: 4-Ethyl-3-nitrobenzenesulfonic acid|Benzenesulfonic acid, 4-ethyl-3-nitro-|4-Ethyl-3-nitrobenzenesulphonic acid|4-ethyl-3-nitrobenzenesulphonicacid|4-Ethyl-3-nitrobenzene-1-sulfonic acid|Benzenesulphonic acid, 4-ethyl-3-nitro-
CAS: 67892-48-2
| Molecular Formula | C8H9NO5S |
|---|---|
| Molecular Weight | 231.02014 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.02014 |
| Monoisotopic Mass | 231.02014 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 67892-48-2 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | VMAGMDKWMAYFDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Food Additives (2 patents)
Product Overview
Benzenesulfonic acid, 4-ethyl-3-nitro- (CAS 67892-48-2), with molecular formula C8H9NO5S and molecular weight 231.02014 g/mol. IUPAC: 4-ethyl-3-nitrobenzenesulfonic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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