HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Penclomedine
NSC-338720 · penclomedine · 3,5-Dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine · 2,4-Dimethoxy-3,5-dichloro-6-(trichloromethyl)pyridine · Pyridine, 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 108030-77-9 |
|---|---|
| Summenformel | C8H6Cl5NO2 |
| Durchschnittliche Molmasse | 325,4 g/mol |
| Monoisotopische Masse | 322,884117 g/mol |
| SMILES | COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl |
| InChIKey | DZVPGIORVGSQMC-UHFFFAOYSA-N |
| PubChem CID | 60203 |
| ChEMBL | CHEMBL273124 |
| DTXSID | DTXSID50148365 |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 31,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 237 |
| Löslichkeit | Water < 1 (mg/mL)Acetate buffer (pH 4) < 1 (mg/mL)Carbonate buffer (pH 9) < 1 (mg/mL)0.1 N HCl < 1 (mg/mL)0.1 N NaOH < 1 (mg/mL)Ethanol (95 %) 20-25 (mg/mL)0.4mg/L(25 ºC) |
| Stability/Shelf Life | Bulk: The bulk substance was found to be stable through 90 days when stored at room temperature and 50 ° C under both light and dark conditions (HPLC). Solution: The compound was found to be stable in DMF /water (50/50,v/v) for at least 72 hr (HPLC). |
| Dichte | 1.6000 (rough estimate) |
| Brechungsindex | 1.6200 (estimate) |