HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brom-4-(methylsulfonyl)benzol
4-Bromophenyl · NSC 174742 · TIMTEC-BB SBB006294 · 4-Bromo phenyl methyl · 4-BROMOPHENYL METHYL SULFON · Methyl 4-Bromophenylsulfone · 4-Bromophenyl methylesulfone · P-METHYL BENZENESULFOBROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 3466-32-8 |
|---|---|
| Summenformel | C7H7BrO2S |
| Durchschnittliche Molmasse | 235,1 g/mol |
| Monoisotopische Masse | 233,93501256 g/mol |
| SMILES | CS(=O)(=O)c1ccc(Br)cc1 |
| InChIKey | FJLFSYRGFJDJMQ-UHFFFAOYSA-N |
| PubChem CID | 77014 |
| EC No. | 222-421-0 |
| DTXSID | DTXSID20188218 |
| Lokaler Name | 1-Brom-4-(methylsulfonyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 209 |
| Schmelzpunkt | 103-107 °C (lit.) |
| Siedepunkt | 348.6±34.0 °C(Predicted) |
| Dichte | 1.595±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | White |
| BRN | 2045675 |
| InChI | InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | FJLFSYRGFJDJMQ-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(S(C)(=O)=O)C=C1 |
| CAS Datenbank | 3466-32-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromophenyl methyl sulfone may be used to synthesize:biaryl methyl sulfones5-[[-4-(methylsulfonyl)phenyl]thio]thiophene-2-sulfonamide1-[4-(methylsulfonyl)phenyl]-1H-pyrazole (Hmsppz)DuP 697 via reaction with (5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)trimethylsilane4-Bromophenyl methyl sulfone (1-bromo-4-(methylsulfonyl)benzene) can undergo coupling reaction with benzene sulfonamide in the presence of copper(I)iodide to form the corresponding N-aryl sulfonamide.