HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Toluolsulfonylfluorid
4-METHYLBENZENESULFONYL FLUORIDE · para-toluenesulfonyl fluoride · TOSYL FLUORIDE · p-Fluorosulfonyltoluene · 4-TOLUENESULONYLCHLORIDE · 4-Toluensulfonyl fluoride · P-TOLUENESULFONYL FLUORIDE · 4-TOLUENESULFONYL FLUORIDE
Identifikatoren & physikalische Daten
| CAS No. | 455-16-3 |
|---|---|
| Summenformel | C7H7FO2S |
| Durchschnittliche Molmasse | 174,19 g/mol |
| Monoisotopische Masse | 174,01507868 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)F)cc1 |
| InChIKey | IZZYABADQVQHLC-UHFFFAOYSA-N |
| PubChem CID | 9965 |
| EC No. | 207-238-6 |
| DTXSID | DTXSID0060014 |
| Lokaler Name | p-Toluolsulfonylfluorid |
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 | 11 |
| Formalladung | 0 |
| Komplexität | 209 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.74 |
| Schmelzpunkt | 41-42 °C(lit.) |
| Siedepunkt | 112 °C16 mm Hg(lit.) |
| Dichte | 1.2768 (estimate) |
| Flammpunkt | 222 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | solid |
| Löslichkeit | Hydrolyzes in water. |
| BRN | 2208423 |
| CAS Datenbank | 455-16-3(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonyl fluoride, 4-methyl- (455-16-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29049095 |
| RTECS-Nr. | XT8050000 |
| R-Sätze (R) | 20/21/22-34 |
| Toxizität | rat,LD50,intraperitoneal,200mg/kg (200mg/kg),Nature. Vol. 173, Pg. 33, 1954. |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 22-26-27-36/37/39-45 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
p-Toluenesulfonyl fluoride is used for sulfonylation of organometallic reagents as a simple, one-step synthesis of sulfones. It is useful in the treatment of Alzheimers disease. It is used to study the DNS polymerase from spinach leaf extracts. It was used in isolation and separation of Pseudomonas aeruginosa membranes by density sucrose gradient centrifugation.