化工社化工社 化学情報印刷レポート · 研究参考用
2,6‐ジフルオロ‐4‐メトキシベンズアルデヒド
2,6‐ジフルオロ‐4‐メトキシベンズアルデヒド · 2,6-ジフルオロ-4-メトキシベンズアルデヒド · 5-Fluoroacetophenone · 2,6-fluoro-4-methoxybenzaldehyde · ,6-DIFLUORO-4-METHOXYBENZALDEHYDE · 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE · Benzaldehyde, 2,6-difluoro-4-methoxy- · 2,6-Difluoro-4-methoxybenzaldehyde 98%
識別子と物理属性
| CAS No. | 256417-10-4 |
|---|---|
| 分子式 | C8H6F2O2 |
| 平均分子量 | 172.13 g/mol |
| 単同位体質量 | 172.03358587 g/mol |
| SMILES | COc1cc(F)c(C=O)c(F)c1 |
| InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
| PubChem CID | 3703713 |
| EC No. | 625-806-5 |
| DTXSID | DTXSID70395273 |
| 現地名 | 2,6‐ジフルオロ‐4‐メトキシベンズアルデヒド |
化学・物理的性質
| XLogP | 1.6 |
|---|---|
| 極性表面積 | 26.3 |
| 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 | 2 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 151 |
| 融点 | 73-77 °C(lit.) |
| 沸点 | 207.1±35.0 °C(Predicted) |
| 密度 | 1.289±0.06 g/cm3(Predicted) |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2-8°C |
| 外観・状態 | solid |
| 色 | Faint Gold |
| InChI | 1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3 |
| InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
| SMILES | COc1cc(F)c(C=O)c(F)c1 |
| CAS データベース | 256417-10-4(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29130000 |
| 危険文句（R） | 38-41 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36/37/39 |
| 危険等級 | Eye Dam. 1Skin Irrit. 2 |
| 貯蔵分類 | 13 - Non Combustible Solids |
用途
使用
2,6-Difluoro-4-methoxybenzaldehyde, is a versatile building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is shown to be involved in the preparation of potent and orally available G protein-coupled receptor 40 agonists, used the treatment of type 2 diabetes.