HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromobenzenesulfonamide
AKOS 206-12 · p-bromo-benzenesulfonamid · P-BROMOBENZENESULFONAMIDE · 4-BROMOBENZENESULFONAMIDE · Bromo Benzene Sulphonamide · 4-BROMOBENZENESULPHONAMIDE · Benzenesulfonamide, p-bromo- · Benzenesulfonamide, 4-bromo-
Identifikatoren & physikalische Daten
| CAS No. | 701-34-8 |
|---|---|
| Summenformel | C6H6BrNO2S |
| Durchschnittliche Molmasse | 236,09 g/mol |
| Monoisotopische Masse | 234,93026153 g/mol |
| SMILES | NS(=O)(=O)c1ccc(Br)cc1 |
| InChIKey | STYQHICBPYRHQK-UHFFFAOYSA-N |
| PubChem CID | 69696 |
| ChEMBL | CHEMBL178852 |
| EC No. | 629-330-9 |
| DTXSID | DTXSID10220373 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 213 |
| SpringerMaterials Properties | Density |
| LogP (Verteilungskoeffizient) | 1.34 |
| Schmelzpunkt | 163-167 °C |
| Siedepunkt | 360.7°C (rough estimate) |
| Dichte | 1.8000 (estimate) |
| Brechungsindex | 1.6140 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)991.6mg/L(15 ºC) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.89±0.10(Predicted) |
| Farbe | White to Off-White |
| BRN | 2691657 |
| InChI | 1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10) |
| InChIKey | STYQHICBPYRHQK-UHFFFAOYSA-N |
| SMILES | NS(=O)(=O)c1ccc(Br)cc1 |
| CAS Datenbank | 701-34-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Bromobenzenesulfonamide(701-34-8) |
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, 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 45 reports by companies from 4 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) | 3 |
| Zollcode | 2935909099 |
| RTECS-Nr. | DB0550000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromobenzenesulfonamide was used as reagent in preparation of cobalt(III) complexes of N,R-sulfonyldithiocarbimate anion. It was also used in the synthesis of 2-, 3- and 4-(substituted-phenylethynyl)benzenesulfonamides.