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4-Amino-3-chlorobenzenesulfonamide
Diazoxide Impurity 11 · 2-CHLORO-4-SULFAMOYLANILINE · Hydrochlorothiazide Impurity 71 · 4-amino-3-chlorobenzenesulfonamide · 4-amino-3-chloro-benzenesulfonamid · Benzenesulfonamide, 4-amino-3-chloro- · 4-amino-3-chlorobenzene-1-sulfonamide · 3-14-00-02189 (Beilstein Handbook Reference)
Identifikatoren & physikalische Daten
| CAS No. | 53297-68-0 |
|---|---|
| Summenformel | C6H7ClN2O2S |
| Durchschnittliche Molmasse | 206,65 g/mol |
| Monoisotopische Masse | 205,99167614 g/mol |
| SMILES | Nc1ccc(S(N)(=O)=O)cc1Cl |
| InChIKey | LFIOFZKZCDMGFG-UHFFFAOYSA-N |
| PubChem CID | 1502014 |
| ChEMBL | CHEMBL7092 |
| EC No. | 960-810-3 |
| DTXSID | DTXSID80201417 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 249 |
| Schmelzpunkt | 161 °C |
| Siedepunkt | 414.4±55.0 °C(Predicted) |
| Dichte | 1.558±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 9.83±0.60(Predicted) |
| InChI | InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11) |
| InChIKey | LFIOFZKZCDMGFG-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=CC=C(N)C(Cl)=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-sulfamoylanilide is an organic compound commonly used as a synthetic intermediate, especially in the synthesis of pharmaceuticals, pesticides and dyes.