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2-(クロロメチル)ニコチン酸メチル
2-(クロロメチル)ニコチン酸メチル · Methyl 2-(chloromethyl)nicotinate · 2-Chloromethyl-nicotinic acid methyl ester · Methyl 2-(chloromethyl)nicotinate - [M70459] · methyl 2-(chloromethyl)pyridine-3-carboxylate · METHYL 2-(CHLOROMETHYL)NICOTINATE ISO 9001：2015 REACH · 2-ChloroMethyl-Pyridine-3-Carboxylic Acid Methyl Ester · 3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl ester
識別子と物理属性
| CAS No. | 177785-14-7 |
|---|---|
| 分子式 | C8H8ClNO2 |
| 平均分子量 | 185.61 g/mol |
| 単同位体質量 | 185.02435618 g/mol |
| SMILES | COC(=O)c1cccnc1CCl |
| InChIKey | AMIVNKVBDFJAFD-UHFFFAOYSA-N |
| PubChem CID | 19081344 |
| EC No. | 862-201-7 |
| DTXSID | DTXSID00597889 |
| 現地名 | 2-(クロロメチル)ニコチン酸メチル |
化学・物理的性質
| XLogP | 1.1 |
|---|---|
| 極性表面積 | 39.2 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 3 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 163 |
| 沸点 | 279.4±30.0 °C(Predicted) |
| 密度 | 1.252±0.06 g/cm3(Predicted) |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 1.67±0.22(Predicted) |
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 注意喚起語 | 危険 |
| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302 |
用途
使用
Methyl 2-(chloromethyl)nicotinate is an intermediate used in synthesizing NAI 1 (N215005), which is used in the process of visualizing the physical basis for molecular behavious inside living cells. RNAs are central to biological regulation and this molecule aids in the first global view of RNA secondary structures in living cells for all four bases.