HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-2-fluorobenzene-1-sulfonyl chloride
16159-03-4 · 4-Bromo-2-flu · BUTTPARK 147\11-41 · 4-BROMO-2-FLUOROBENZENESULFONYL CHLORIDE · 2-FLUORO-4-BROMOBENZENESULFONYL CHLORIDE · 6,7-Dibromo-3-Methyl-2(1h)-Quinoxalinone · 4-BROMO-2-FLUOROBENZENESULPHONYL CHLORIDE · 4-broMo-2-fluorobenzene-1-sulfonyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 216159-03-4 |
|---|---|
| Summenformel | C6H3BrClFO2S |
| Durchschnittliche Molmasse | 273,51 g/mol |
| Monoisotopische Masse | 271,87096834 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc(Br)cc1F |
| InChIKey | XNYBZLRIUHNRQY-UHFFFAOYSA-N |
| PubChem CID | 2736310 |
| EC No. | 627-329-8 |
| DTXSID | DTXSID80371265 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 251 |
| Schmelzpunkt | 63-66 °C (lit.) |
| Siedepunkt | 84°C 0,5mm |
| Dichte | 1.867±0.06 g/cm3(Predicted) |
| Flammpunkt | 84°C/0.5mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in Toluene |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| InChI | 1S/C6H3BrClFO2S/c7-4-1-2-6(5(9)3-4)12(8,10)11/h1-3H |
| InChIKey | XNYBZLRIUHNRQY-UHFFFAOYSA-N |
| SMILES | Fc1cc(Br)ccc1S(Cl)(=O)=O |
| CAS Datenbank | 216159-03-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): 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 49 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 22-26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Bromo-2-fluorobenzenesulfonyl chloride may be used to synthesize (E)-4-bromo-2-fluoro-1-styrylbenzene.