化工社化工社 化学情報印刷レポート · 研究参考用
3-Furancarboxaldehyde, tetrahydro-
tetrahydrofuran-3-carbaldehyde · tetrahydrofuran-3-carboxyaldehyde · 3-Formyl-THF · tetrahydro-3-furaldehyd · 3-formyltetrahydrofuran · tetrahydro-3-furancarbaldehyde · vtetrahydro-3-furancarbaldehyde · tetrahydro-3-furancarboxaldehyd
識別子と物理属性
| CAS No. | 79710-86-4 |
|---|---|
| 分子式 | C5H8O2 |
| 平均分子量 | 100.12 g/mol |
| 単同位体質量 | 100.0524295 g/mol |
| SMILES | O=CC1CCOC1 |
| InChIKey | GSUBXIVOZXWGKF-UHFFFAOYSA-N |
| PubChem CID | 157568 |
| ChEMBL | CHEMBL2228161 |
| EC No. | 629-664-5 |
| DTXSID | DTXSID60888563 |
化学・物理的性質
| XLogP | -0.3 |
|---|---|
| 極性表面積 | 26.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 70.5 |
| 沸点 | 99 °C |
| 密度 | 1.106 g/mL at 25 °C |
| 屈折率 | n20/D 1.416 |
| 引火点 | >230 °F |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | Liquid |
| InChI | 1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2 |
| InChIKey | GSUBXIVOZXWGKF-UHFFFAOYSA-N |
| SMILES | O=CC1CCOC1 |
| EPAの化学物質情報 | 3-Furancarboxaldehyde, tetrahydro- (79710-86-4) |
安全性と法規制
| GHS 分類 | DangerH302 (72.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 146 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 18-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11049 |
| Hazard Classes and Categories | Acute Tox. 4 (72.6%) |
| 水環境危害等級（WGK） | - |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 2912490090 |
| 危険文句（R） | 5-19-41 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36/37/39-39 |
| 危険等級 | Eye Dam. 1 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2-(Tetrahydrofuran-3-yl)acetaldehyde is a reagent used in the preparation of several pharmaceutical agents. It is used in the prepoaration of ortho-amino benzamides and nicotinamides as MCHr1 (Melanin-concentrating hormone receptor 1) antagonists, used in the therapeutic treatment of obesity. Also used in the pereparation of Tsg101-directed HIV-1 budding antagonists for application towards late-stage HIV-1 infection.
一般的な説明
The product is a 50 wt.% solution of tetrahydrofuran-3-carboxaldehyde in water.