HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brombenzolsulfonylchlorid
4-bromobenzene-1-sulfonyl chloride · P-BROMOBENZENESULFONYL CHLORIDE · 4-BromobenzenesuL · p-Brosyl chloride · AKOS BBS-00004603 · 4-Bromobenzenesulfon · 4-Bromo-Benzenesulfonyl · (4-Bromophenyl)chlorosulfone
Identifikatoren & physikalische Daten
| CAS No. | 98-58-8 |
|---|---|
| Summenformel | C6H4BrClO2S |
| Durchschnittliche Molmasse | 255,52 g/mol |
| Monoisotopische Masse | 253,88039015 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc(Br)cc1 |
| InChIKey | KMMHZIBWCXYAAH-UHFFFAOYSA-N |
| PubChem CID | 7396 |
| EC No. | 202-683-2 |
| DTXSID | DTXSID9059173 |
| Lokaler Name | 4-Brombenzolsulfonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 213 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 73-75 °C (lit.) |
| Siedepunkt | 153 °C/15 mmHg (lit.) |
| Dichte | 1.7910 (estimate) |
| Flammpunkt | 152-154°C/26mm |
| Lagerbedingungen | Refrigerator, Under Inert Atmosphere |
| Löslichkeit | soluble in Chloroform, DMSOdecomposes |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | White to beige |
| Merck | 14,1407 |
| BRN | 743518 |
| InChI | InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H |
| InChIKey | KMMHZIBWCXYAAH-UHFFFAOYSA-N |
| SMILES | C1(S(Cl)(=O)=O)=CC=C(Br)C=C1 |
| CAS Datenbank | 98-58-8(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 4-bromo- (98-58-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.DangerH314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 17-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/334934-Bromobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1C (96.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049020 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Bromobenzenesulfonyl chloride is used for identification of amines, and also in the synthesis and inhibition studies of substituted N-L-histidinylphenylsulfonyl hydrazide.