化工社化工社 化学情報印刷レポート · 研究参考用
4'-(トリフルオロメチル)プロピオフェノン
4'-(トリフルオロメチル)プロピオフェノン · P-(トリフルオロメチル)プロピオフェノン · 4′-(トリフルオロメチル)プロピオフェノン · p-trifluoromethylpropiophenone · 4-(TRIFLUOROMETHYL)PROPIOPHENONE · 4'-(Trifluoromethyl)propiophenone · 4'-(Trifluoromethyl)propiophenone 97% · 4'-(Trifluoromethyl)propiophenone,97%
識別子と物理属性
| CAS No. | 711-33-1 |
|---|---|
| 分子式 | C10H9F3O |
| 平均分子量 | 202.17 g/mol |
| 単同位体質量 | 202.06054957 g/mol |
| SMILES | CCC(=O)c1ccc(C(F)(F)F)cc1 |
| InChIKey | QFKOWENRSZZLPK-UHFFFAOYSA-N |
| PubChem CID | 136554 |
| EC No. | 626-720-0 |
| DTXSID | DTXSID40221318 |
| 現地名 | 4'-(トリフルオロメチル)プロピオフェノン |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 極性表面積 | 17.1 |
| 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 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 202 |
| 融点 | 36-39 °C(lit.) |
| 沸点 | 216 °C(lit.) |
| 密度 | 1,973 g/cm3 |
| 引火点 | 210 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 外観・状態 | fused solid |
| 色 | White/colourless |
| BRN | 1874014 |
| InChI | 1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey | QFKOWENRSZZLPK-UHFFFAOYSA-N |
| SMILES | CCC(=O)c1ccc(cc1)C(F)(F)F |
| CAS データベース | 711-33-1(CAS DataBase Reference) |
化学的特性
solid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 6 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 | 29147000 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 危険等級 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
4-(Trifluoromethyl)propiophenone is used as a reagent in the preparation of ketones and alcohols in organic synthesis. It is also used as a starting material for the synthesis of various compounds such as 4-(trifluoromethyl)phenylacetic acid, which is used as a building block in the synthesis of pharmaceuticals.