HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Iodo-2-methylphenol
NISTC60577302 · 4-IODO-O-CRESOL · 4-iodine-2-cresol · 4-Iodo-2-methylphenol · Phenol, 4-iodo-2-Methyl- · 4-Iodo-2-Methylphenol 97%
Identifikatoren & physikalische Daten
| CAS No. | 60577-30-2 |
|---|---|
| Summenformel | C7H7IO |
| Durchschnittliche Molmasse | 234,03 g/mol |
| Monoisotopische Masse | 233,95416284 g/mol |
| SMILES | Cc1cc(I)ccc1O |
| InChIKey | WSBDSSKIWDFOBQ-UHFFFAOYSA-N |
| PubChem CID | 143713 |
| EC No. | 628-288-9 |
| DTXSID | DTXSID00209379 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Schmelzpunkt | 67-68 °C(lit.) |
| Siedepunkt | 105-110 °C2 mm Hg(lit.) |
| Dichte | 1.7904 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 9.70±0.18(Predicted) |
| InChI | 1S/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 |
| InChIKey | WSBDSSKIWDFOBQ-UHFFFAOYSA-N |
| SMILES | Cc1cc(I)ccc1O |
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 40 reports by companies from 3 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 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Iodo-2-methylphenol was used as starting reagent in the synthesis of an agonist for the peroxisome proliferator-activated receptor δ (PPARδ) GW501516, a potential antiobesity drug.