化工社化工社 化学情報印刷レポート · 研究参考用
6-(ヒドロキシメチル)ピリジン-2-カルボン酸エチル
6-(ヒドロキシメチル)ピリジン-2-カルボン酸エチル · ethyl 6-(hydroxymethyl)picolinate · Ethyl 6-(hydroxymethyl) · Ethyl 6-(hydroxymethyl)-2-pyridinecarboxylate · 2-HYDROXYMETHYLPYRIDINE-6-CARBOXYLIC ACID EHTYL ESTER · 6-Hydroxymethyl-pyridine-2-carboxylic acid ethyl ester · 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester · 6-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER ISO 9001：2015 REACH
識別子と物理属性
| CAS No. | 41337-81-9 |
|---|---|
| 分子式 | C9H11NO3 |
| 平均分子量 | 181.19 g/mol |
| 単同位体質量 | 181.07389321 g/mol |
| SMILES | CCOC(=O)c1cccc(CO)n1 |
| InChIKey | CDFOARSBQKJGNL-UHFFFAOYSA-N |
| PubChem CID | 10921141 |
| EC No. | 609-909-2 |
| DTXSID | DTXSID00448367 |
| 現地名 | 6-(ヒドロキシメチル)ピリジン-2-カルボン酸エチル |
化学・物理的性質
| XLogP | 0.6 |
|---|---|
| 極性表面積 | 59.4 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 4 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 172 |
| 沸点 | 337.1±32.0 °C(Predicted) |
| 密度 | 1.200±0.06 g/cm3(Predicted) |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 13.02±0.10(Predicted) |
化学的特性
White solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| 税関コード | 29339900 |
| 危険文句（R） | 20/21/22 |
| 安全措置（S） | 24/25-36/37 |