HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Fluor-4-(methylsulfonyl)benzol
4-Fluorophenyl · 1-FLUORO-4-(METHYLSULFONYL)BENZENE · 4-FLUOROPHENYL METHY · Formula: FC6H4SO2CH3 · Etoricoxib Impurity 125 · Bicalutamide Impurity 30 · Methyl 4-fluorophenyl sulfone · 4-Fluorophenyl methyl sulfone
Identifikatoren & physikalische Daten
| CAS No. | 455-15-2 |
|---|---|
| Summenformel | C7H7FO2S |
| Durchschnittliche Molmasse | 174,19 g/mol |
| Monoisotopische Masse | 174,01507868 g/mol |
| SMILES | CS(=O)(=O)c1ccc(F)cc1 |
| InChIKey | DPJHZJGAGIWXTD-UHFFFAOYSA-N |
| PubChem CID | 67994 |
| EC No. | 207-237-0 |
| DTXSID | DTXSID80196531 |
| Lokaler Name | 1-Fluor-4-(methylsulfonyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 209 |
| Schmelzpunkt | 78-81 °C (lit.) |
| Siedepunkt | 95-97°C 7mm |
| Dichte | 1.2768 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Dichloromethane, Dimethyl Sulfoxide, Methanol |
| Aggregatzustand | Adhering Crystalline Powder |
| Farbe | Almost white |
| BRN | 2045674 |
| InChI | InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | DPJHZJGAGIWXTD-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C(S(C)(=O)=O)C=C1 |
| CAS Datenbank | 455-15-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 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 (28.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Fluorophenyl methyl sulfone is used for preparation of substituted indazole amides as glucokinase activators.