HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
alpha-Toluolsulfonylfluorid
PMSF · PHENYLMETHANESULFONYL FLUORIDE · TOSYL FLUORIDE · P-TOLUENESULFONYL FLUORIDE · α-toluenesulphonyl fluoride · ALPHA-TOLUENESULFONYL FLUORIDE · 4-METHYLBENZENESULFONYL FLUORIDE · abs9146
Identifikatoren & physikalische Daten
| CAS No. | 329-98-6 |
|---|---|
| Summenformel | C7H7FO2S |
| Durchschnittliche Molmasse | 174,19 g/mol |
| Monoisotopische Masse | 174,01507868 g/mol |
| SMILES | O=S(=O)(F)Cc1ccccc1 |
| InChIKey | YBYRMVIVWMBXKQ-UHFFFAOYSA-N |
| PubChem CID | 4784 |
| ChEMBL | CHEMBL190503 |
| ChEBI | CHEBI:8102 |
| EC No. | 206-350-2 |
| DTXSID | DTXSID6059819 |
| Lokaler Name | alpha-Toluolsulfonylfluorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 199 |
| Stoffklassen | Other Uses -> Biochemical Research |
| Physical Description | Colorless solid[Merck Index] White crystals[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 92-95 °C |
| Siedepunkt | 112 °C16 mm Hg(lit.) |
| Dichte | 0.797 g/mL at 20 °C |
| Flammpunkt | 222 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | dry solvents (ethanol, methanol, and 2-propanol): 200 mM Stock solution are stable for months at 4°C.hydrolysis |
| Aggregatzustand | Needles (May Agglomerate) |
| pKa (Säurekonstante) | 7.0 |
| Farbe | White |
| Biologische Quelle | synthetic |
| Merck | 14,7542 |
| BRN | 2088311 |
| Stabilität | Moisture Sensitive |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | YBYRMVIVWMBXKQ-UHFFFAOYSA-N |
| SMILES | FS(=O)(=O)Cc1ccccc1 |
| CAS Datenbank | 329-98-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenemethanesulfonyl fluoride (329-98-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 103 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Phenylmethanesulphonyl fluoride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes convulsions and multiple enzyme effects in acute intraperitoneal studies of mice[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestionTargets the nerves, heart, blood, and eyes[Sigma-Aldrich MSDS] See Methanesulfonyl fluoride. |
| Hazard Classes and Categories | Acute Tox. 3 (99%) |
| Expositionsschutz und Persönliche Schutzausrüstung | Biological Exposure Indices (BEI) [ACGIH] - Fluorides in urine = 2 mg/L prior to shift or 3 mg/L at end of shift(Repeated measurements recommended.)1.0 [mg/m3], inhalable fraction, as F[German Research Foundation (DFG)] |
| Threshold Limit Values (TLV) | 2.5 [mg/m3], as F |
| Permissible Exposure Limit (PEL) | 2.5 [mg/m3], as F |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 3-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29241990 |
| RTECS-Nr. | XT8050000 |
| R-Sätze (R) | 11-34-25-23/24/25 |
| Toxizität | LD50 (24 hr) in mice (mg/kg): 215 ±55 i.p. (Pinsky) |
| Gefahrensymbole | F,T,C |
| hazard_note | Highly Toxic/Corrosive |
| Sicherheitshinweise (S) | 7-16-45-36/37/39-28A-26-27 |
| Gefahrenklasse | 8Acute Tox. 3 OralSkin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Phenylmethylsulfonyl fluoride is used as a Protease inhibitor such as Chymotrypsin, Trypsin and Thrombin as well as Acetylcholineesterase.