HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
o-Chlorbenzolsulfonamid
orobenzenesuL · BUTTPARK 37\11-77 · o-Chlorobenzenesulfo · Venetoclax Impurity 60 · 2-CHLOROBEZENESULFONAMIDE · 2-CHLOROBENZENESULFONAMIDE · P-CHLOROBENZENE SUFONAMIDE · 2-chloro-benzenedulfonamid
Identifikatoren & physikalische Daten
| CAS No. | 6961-82-6 |
|---|---|
| Summenformel | C6H6ClNO2S |
| Durchschnittliche Molmasse | 191,64 g/mol |
| Monoisotopische Masse | 190,98077711 g/mol |
| SMILES | NS(=O)(=O)c1ccccc1Cl |
| InChIKey | JCCBZCMSYUSCFM-UHFFFAOYSA-N |
| PubChem CID | 81410 |
| ChEMBL | CHEMBL367983 |
| EC No. | 230-156-7 |
| DTXSID | DTXSID2044979 |
| Lokaler Name | o-Chlorbenzolsulfonamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 221 |
| LogP (Verteilungskoeffizient) | 0.79 |
| Collision Cross Section | 133.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2044979] |
| Schmelzpunkt | 189-193 °C(lit.) |
| Siedepunkt | 352.9±44.0 °C(Predicted) |
| Dichte | 1.408 (estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)498.3mg/L(15 ºC) |
| pKa (Säurekonstante) | 9.66±0.60(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| BRN | 2937540 |
| InChI | 1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10) |
| InChIKey | JCCBZCMSYUSCFM-UHFFFAOYSA-N |
| SMILES | NS(=O)(=O)c1ccccc1Cl |
| CAS Datenbank | 6961-82-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Chlorobenzenesulfonamide(6961-82-6) |
| EPA chemische Informationen | Benzenesulfonamide, 2-chloro- (6961-82-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (32.3%): 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 62 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (32.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29350090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chlorobenzenesulfonamide may be used in the synthesis of 2-chloro-N-(4-methoxybenzoyl)benzenesulfonamide and 1,2,4-thiadiazine ,1-dioxides.