化工社化工社 化学情報印刷レポート · 研究参考用
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
識別子と物理属性
| CAS No. | 179687-79-7 |
|---|---|
| 分子式 | C12H9ClN2O3 |
| 平均分子量 | 264.66 g/mol |
| 単同位体質量 | 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 |
化学・物理的性質
| XLogP | 2.8 |
|---|---|
| 極性表面積 | 67.9 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 3 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 285 |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | Status: Active Update: 27-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7519 |
| Hazard Classes and Categories | Not Classified |
用途
使用
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.