HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Diethylsulfamoyl)benzoic acid
3-(diethylsulfamoyl)benzoate · 3-(N,N-DiethylsulfaMoyl)benzoic acid · Benzoic acid, 3-[(diethylamino)sulfonyl]-
Identifikatoren & physikalische Daten
| CAS No. | 1576-46-1 |
|---|---|
| Summenformel | C11H15NO4S |
| Durchschnittliche Molmasse | 257,31 g/mol |
| Monoisotopische Masse | 257,07217913 g/mol |
| SMILES | CCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1 |
| InChIKey | BIXIGFOEUQAXDL-UHFFFAOYSA-N |
| PubChem CID | 794595 |
| EC No. | 963-311-9 |
| DTXSID | DTXSID20355241 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 356 |
| Schmelzpunkt | 153-154 °C(Solv: water (7732-18-5)) |
| Siedepunkt | 433.5±47.0 °C(Predicted) |
| Dichte | 1.283±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 3.75±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
Anwendungen & Verwendung
Verwenden
3-Diethylsulfamoylbenzoic acid