ペンタフルオロベンズアルデヒド
ペンタフルオロベンズアルデヒド · 2,3,4,5,6-ペンタフルオロベンズアルデヒド · 2,3,4,5,6-ペンタフルオロベンゼンカルボアルデヒド · ペルフルオロベンズアルデヒド · 2,3,4,5,6-PENTAFLUOROBENZALDEHYDE · PERFLUOROBENZALDEHYDE · PENTAFLUORBENZALDEHYDE · PENTAFLUOROBENZALDEHYDE
識別子と物理属性
| CAS No. | 653-37-2 |
|---|---|
| 分子式 | C7HF5O |
| 平均分子量 | 196.07 g/mol |
| 単同位体質量 | 195.99475575 g/mol |
| SMILES | O=Cc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| PubChem CID | 69558 |
| EC No. | 211-502-6 |
| DTXSID | DTXSID4022101 |
| 現地名 | ペンタ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 | 6 |
| 回転可能結合数 | 1 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 183 |
| 融点 | 24-28 °C(lit.) |
| 沸点 | 164-166 °C(lit.) |
| 密度 | 1.588 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.45(lit.) |
| 引火点 | 172 °F |
| 貯蔵条件 | Inert atmosphere,2-8°C |
| 外観・状態 | 融解後の液体 |
| 比重 | 1.588 |
| 色 | クリアイエロー |
| 溶解度 | 水にやや溶けにくい (25°C で 0.027 g/L)。 |
| BRN | 1876550 |
| InChI | InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H |
| InChIKey | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| SMILES | C(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| CAS データベース | 653-37-2(CAS DataBase Reference) |
化学的特性
Freshly distilled pentafluorobenzaldehyde is a colourless liquid with a strong odour; clear yellowish liquid after melting; a lachrymator; soluble in common organic solvents and practically insoluble in water.
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, 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 50 reports by companies from 10 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 |
| RTECS 番号 | CU7542000 |
| 輸送番号（UN） | UN 2810 6.1/PG 3 |
| 税関コード | 29130000 |
| 危険文句（R） | 20/22-36/37/38-20 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xn,F,Xi |
| hazard_note | Irritant |
| 安全措置（S） | 26-37/39 |
| 危険等級 | 6.1Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
使用
Pentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.
一般的な説明
2,3,4,5,6-Pentafluorobenzaldehyde reacts with 5-(aryl)dipyrromethanes to form a variety of meso-aryl [26]hexaphyrins.