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4-Chlorbenzolsulfonylchlorid
4-CHLOROBENZENE-1-SULFONYL CHLORIDE · CHLOROBENZENESULFONYL CHLORIDE · 4-Chlorobenzene · 4-Chlorobenzenesulfo · p-Chlorbenzensulfochlorid · p-Chlorobenzenesulfochloride · 4-Chlorophenylchloro sulfone · p-Chlorobenzenesulfonylchlori
Identifikatoren & physikalische Daten
| CAS No. | 98-60-2 |
|---|---|
| Summenformel | C6H4Cl2O2S |
| Durchschnittliche Molmasse | 211,06 g/mol |
| Monoisotopische Masse | 209,93090573 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc(Cl)cc1 |
| InChIKey | ZLYBFBAHAQEEQQ-UHFFFAOYSA-N |
| PubChem CID | 7398 |
| EC No. | 202-685-3 |
| DTXSID | DTXSID4059174 |
| Lokaler Name | 4-Chlorbenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 211 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Crystal structure |
| Color/Form | PRISMS OR PLATES FROM ETHER |
| Löslichkeit | VERY SOL IN ETHER & BENZENEsoluble in TolueneINSOLUBLE |
| Siedepunkt | 141 °C @ 15 MM HG141 °C/15 mmHg (lit.) |
| Schmelzpunkt | 55 °C50-52 °C (lit.) |
| Dampfdruck | 0.00117 [mmHg] |
| Physical Description | White solid[CHEMINFO] |
| Other Experimental Properties | DECOMP IN HOT WATER & HOT ALCOHOL |
| Dichte | 1.5075 (estimate) |
| Flammpunkt | 226 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| BRN | 511583 |
| InChI | InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H |
| InChIKey | ZLYBFBAHAQEEQQ-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=C(Cl)C=C1 |
| CAS Datenbank | 98-60-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chlorobenzenesulfonyl chloride(98-60-2) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 4-chloro- (98-60-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 97 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/115304-Chlorobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Decomposes in waterA severe eye and moderate skin irritant based on animal studies[CHEMINFO] Reacts violently with waterA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause edema and chemical pneumonitis[MSDSonline] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049020 |
| RTECS-Nr. | DB8925000 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 98-60-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.