HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Acetamidobenzolsulfonylfluorid
N-ACETYLSULFANILYL FLUORIDE · p-Acetamidobenzenesulfonyl fluoride · 4-acetamidobenzenesulfonyl fluoride · p-acetamidobenzenesulphonyl fluoride · 4-Acetamidobenzene-1-sulfonyl fluoride · 4-(Acetylamino)benzenesulfonyl fluoride · Benzenesulfonyl fluoride, 4-(acetylamino)- · 4-(Acetylamino)benzenesulfonyl fluoride 95%
Identifikatoren & physikalische Daten
| CAS No. | 329-20-4 |
|---|---|
| Summenformel | C8H8FNO3S |
| Durchschnittliche Molmasse | 217,22 g/mol |
| Monoisotopische Masse | 217,02089245 g/mol |
| SMILES | CC(=O)Nc1ccc(S(=O)(=O)F)cc1 |
| InChIKey | HRQHLUBMODFETM-UHFFFAOYSA-N |
| PubChem CID | 67608 |
| EC No. | 206-343-4 |
| DTXSID | DTXSID1059818 |
| Lokaler Name | p-Acetamidobenzolsulfonylfluorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 301 |
| LogP (Verteilungskoeffizient) | 2.17 |
| Schmelzpunkt | 173-178 °C |
| Siedepunkt | 386.0±25.0 °C(Predicted) |
| Dichte | 1.417±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 13.82±0.70(Predicted) |
| Aggregatzustand | solid |
| InChI | InChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11) |
| InChIKey | HRQHLUBMODFETM-UHFFFAOYSA-N |
| SMILES | C1(S(F)(=O)=O)=CC=C(NC(C)=O)C=C1 |
| EPA chemische Informationen | Benzenesulfonyl fluoride, 4-(acetylamino)- (329-20-4) |
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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| TSCA-Inventar-Status | TSCA listed |
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.