HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzenesulfonyl fluoride, p-chloro-
Benzenesulfonyl fluoride, 4-chloro- · 4-Chlorobenzenesulfonyl fluoride 95% · Benzenesulfonyl fluoride, 4-chloro- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 349-89-3 |
|---|---|
| Summenformel | C6H4ClFO2S |
| Durchschnittliche Molmasse | 194,61 g/mol |
| Monoisotopische Masse | 193,9604564 g/mol |
| SMILES | O=S(=O)(F)c1ccc(Cl)cc1 |
| InChIKey | PCTLRVPDZBVCMP-UHFFFAOYSA-N |
| PubChem CID | 94992 |
| EC No. | 809-009-1 |
| DTXSID | DTXSID80188456 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 213 |
| Schmelzpunkt | 47-48 °C |
| Siedepunkt | 236.3±23.0 °C(Predicted) |
| Dichte | 1.473±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | solid |
| InChI | 1S/C6H4ClFO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H |
| InChIKey | PCTLRVPDZBVCMP-UHFFFAOYSA-N |
| SMILES | ClC1=CC=C(S(=O)(F)=O)C=C1 |
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Skin Corr. 1B |
Anwendungen & Verwendung
Verwenden
Sulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.