化工社化工社 化学情報印刷レポート · 研究参考用
2,3,5,6-テトラフルオロベンズアルデヒド
2,3,5,6-テトラフルオロベンズアルデヒド · 2,3,5,6-Tetrafluorobenzaldehyd · 2,3,5,6-TETRAFLUOROBENZALDEHYDE · Benzaldehyde, 2,3,5,6-tetrafluoro- · 2,3,5,6-Tetrafluorobenzaldehyde,97% · 2,3,5,6-Tetrafluorobenzaldehyde, 97% 1GR · 2,3,5,6-tetrafluorobenzenemethylaldehyde · 2,3,5,6-TETRAFLUOROBENZALDEHYDE ISO 9001：2015 REACH
識別子と物理属性
| CAS No. | 19842-76-3 |
|---|---|
| 分子式 | C7H2F4O |
| 平均分子量 | 178.08 g/mol |
| 単同位体質量 | 178.00417756 g/mol |
| SMILES | O=Cc1c(F)c(F)cc(F)c1F |
| InChIKey | YIRYOMXPMOLQSO-UHFFFAOYSA-N |
| PubChem CID | 601331 |
| EC No. | 626-553-3 |
| DTXSID | DTXSID50345039 |
| 現地名 | 2,3,5,6-テトラフルオロベンズアルデヒド |
化学・物理的性質
| XLogP | 1.9 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 1 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 161 |
| 沸点 | 178 °C (lit.) |
| 密度 | 1.525 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.469(lit.) |
| 引火点 | 165 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 外観・状態 | clear liquid |
| 色 | Colorless to Light orange to Yellow |
| 比重 | 1.525 |
| InChI | 1S/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H |
| InChIKey | YIRYOMXPMOLQSO-UHFFFAOYSA-N |
| SMILES | Fc1cc(F)c(F)c(C=O)c1F |
| CAS データベース | 19842-76-3(CAS DataBase Reference) |
化学的特性
clear yellow liquid
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 42 reports by companies from 5 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） | 36/37/38 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 26-36/37/39 |
| 危険等級 | IRRITANT, AIR SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2,3,5,6-Tetrafluorobenzaldehyde was used in the preparation of 1,3-bis(2,4,6-trimethylphenyl)-2-(2,3,5,6-tetrafluorophenyl)imidazolidine and 1,3-dimethyl-2-(2,3,5,6-tetrafluorophenyl)imidazolidine.
一般的な説明
2,3,5,6-Tetrafluorobenzaldehyde is a polysubstituted benzaldehyde and was evaluated as a substrate of PmHNL (Prunus mume hydroxynitrile lyase). Reaction of 2,3,5,6-tetrafluorobenzaldehyde with dipyrromethane was reported.