HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-5-nitrobenzenesulfonyl fluoride
2-Methyl-5-nitrobenzenesulfonyl fluoride · Benzenesulfonyl fluoride, 2-methyl-5-nitro- · 2-methyl-5-nitrobenzene-1-sulfonyl fluoride · 2-Methyl-5-nitrobenzenesulfonyl fluoride 95%
Identifikatoren & physikalische Daten
| CAS No. | 453-53-2 |
|---|---|
| Summenformel | C7H6FNO4S |
| Durchschnittliche Molmasse | 219,19 g/mol |
| Monoisotopische Masse | 219,00015701 g/mol |
| SMILES | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)F |
| InChIKey | DVIHYWIICFLCGC-UHFFFAOYSA-N |
| PubChem CID | 281130 |
| EC No. | 809-362-1 |
| DTXSID | DTXSID80299915 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 318 |
| Dichte | 1.467 g/L at 25 °C |
| Brechungsindex | n /D 1.538 |
| Aggregatzustand | liquid |
| Siedepunkt | 327.0±35.0 °C(Predicted) |
| Schmelzpunkt | 57-58 °C |
| InChI | 1S/C7H6FNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3 |
| InChIKey | DVIHYWIICFLCGC-UHFFFAOYSA-N |
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. |
|---|---|
| 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.