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2-((2-Chloro-4-nitrophenoxy)methyl)pyridine
Neratinib Impurity 35 · 2-((4-chloro-3-nitrophenoxy)methyl)pyridine · 2-[(2-Chloro-4-nitrophenoxy)methyl]pyridine · Pyridine, 2-[(2-chloro-4-nitrophenoxy)methyl]- · 3-Chloro-4-(2-pyridinylmethoxy)-1-nitrobenzene
Identifikatoren & physikalische Daten
| CAS No. | 179687-79-7 |
|---|---|
| Summenformel | C12H9ClN2O3 |
| Durchschnittliche Molmasse | 264,66 g/mol |
| Monoisotopische Masse | 264,03016983 g/mol |
| SMILES | O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1 |
| InChIKey | GWYKHOLLVPAQFF-UHFFFAOYSA-N |
| PubChem CID | 17469433 |
| EC No. | 605-865-3 |
| DTXSID | DTXSID70589630 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 285 |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7519 |
| Hazard Classes and Categories | Not Classified |
Anwendungen & Verwendung
Verwenden
3-Chloro-4-(2-pyridylmethyloxy)nitrobenzene was used to synthesize aniline ''headgroups'' and incorporat them into an alkynyl thienopyrimidine series of EGFR and ErbB-2 inhibitors.