HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethanol, 2-((4-aminophenyl)sulfonyl)-, 1-(hydrogen sulfate)
VinylSulfoneParaBase · C8H11NO6S2 · Para Base (VS) · p-SESA (Para Base) · VINYL PHNE PARA BASE ESTER · VINYLSULPHONEESTER-PARABASE · 4-AMINOPHENYLSULFATOETHYLSULFONE · 4-(-sulfatoethylsulfonyl)aniline
Identifiers & Physical Properties
| CAS No. | 2494-89-5 |
|---|---|
| Molecular formula | C8H11NO6S2 |
| Average molar mass | 281.3 g/mol |
| Monoisotopic mass | 281.00277942 g/mol |
| SMILES | Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1 |
| InChIKey | IALORYHODRVWKZ-UHFFFAOYSA-N |
| PubChem CID | 75615 |
| EC No. | 219-669-7 |
| DTXSID | DTXSID0027484 |
Chemical & Physical Properties
| XLogP | -0.6 |
|---|---|
| Topological polar surface area | 141 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 5 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 424 |
| Physical Description | Dry Powder |
| Density | 1.608±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C, protect from light |
| Solubility | DMSO (Slightly), Water (Slightly, Heated) |
| pKa (acidity coefficient) | -3.88±0.18(Predicted) |
| Physical state | Solid |
| Color | Off-White to Pale Grey |
| InChI | InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14) |
| InChIKey | IALORYHODRVWKZ-UHFFFAOYSA-N |
| SMILES | C(OS(O)(=O)=O)CS(C1=CC=C(N)C=C1)(=O)=O |
| FDA UNII | 5R04R0T8IA |
| EPA Substance Registry System | Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester) (2494-89-5) |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501 |
| TSCA inventory status | TSCA listed |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH315 (26.7%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P318, P321, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)T - indicates a substance that is the subject of a final TSCA section 4 test rule.REACH registered substance: 2-[(p-aminophenyl)sulphonyl]ethyl hydrogensulphate (EC: 219-669-7) |
| Hazard Classes and Categories | Skin Irrit. 2 (26.7%) |
| TSCA inventory status | TSCA listed |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| GHS hazard statements | H314-H318 |
| REACH registrations | Active |
| GHS precautionary statements | P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501 |
Applications & Uses
Uses
4-(Ethylsulfurate Sulfonyl)aniline is a disperse dye.