HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Iodo-2-methylsulfanylbenzene
2-Iodothioaniole · o-Iodothioanisole · 2-Iodothioanisole · 2-Iodine Anise Sulfide · 2-Iodophenyl methyl sulfide · 1-IODO-2-(METHYLTHIO)BENZENE · o-Iodophenyl(methyl) sulfide · Methyl[2-iodophenyl] sulfide
Identifikatoren & physikalische Daten
| CAS No. | 33775-94-9 |
|---|---|
| Summenformel | C7H7IS |
| Durchschnittliche Molmasse | 250,1 g/mol |
| Monoisotopische Masse | 249,93131922 g/mol |
| SMILES | CSc1ccccc1I |
| InChIKey | YENHZHSFWAPGIR-UHFFFAOYSA-N |
| PubChem CID | 2801416 |
| EC No. | 670-928-4 |
| DTXSID | DTXSID50384246 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Siedepunkt | 129 °C |
| Dichte | 1.78±0.1 g/cm3(Predicted) |
| Brechungsindex | 1.682 |
| Flammpunkt | 129-131°C/3mm |
| Lagerbedingungen | 2-8°C(protect from light) |
| BRN | 2516385 |
| CAS Datenbank | 33775-94-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Zollcode | 29309090 |
| Gefahrenklasse | LIGHT SENSITIVE, STENCH |
Anwendungen & Verwendung
Verwenden
2-Iodothioanisole is a synthetic compound that is used as an inhibitor of the enzyme cox-2. It has been shown to inhibit the production of prostaglandins.