ペンタフルオロプロピオン酸
ペンタフルオロプロピオン酸 · ペンタフルオロプロピオン酸 (約0.5mol/L水溶液) [イオン対試薬] · ペルフルオロプロピオン酸 · ペンタフルオロプロパン酸 · 2,2,3,3,3-ペンタフルオロプロパン酸 · 2,2,3,3,3-ペンタフルオロプロピオン酸 · ペルフルオロプロピオン酸 (約0.5mol/L水溶液) · ペンタフルオロプロピオン酸, min. 97%
識別子と物理属性
| CAS No. | 422-64-0 |
|---|---|
| 分子式 | C3HF5O2 |
| 平均分子量 | 164.03 g/mol |
| 単同位体質量 | 163.98967037 g/mol |
| SMILES | O=C(O)C(F)(F)C(F)(F)F |
| InChIKey | LRMSQVBRUNSOJL-UHFFFAOYSA-N |
| PubChem CID | 62356 |
| EC No. | 207-021-6 |
| DTXSID | DTXSID8059970 |
| 現地名 | ペンタフルオロプロピオン酸 |
化学・物理的性質
| XLogP | 1.6 |
|---|---|
| 極性表面積 | 37.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 7 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 147 |
| 物質分類 | Ionic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorocarboxylic acidsPFAS -> Other/unspecifiedPFAS -> Ultra Short Chain PFcarboxylic acidsPFAS -> non-polymer |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Collision Cross Section | 115.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS] |
| 沸点 | 96-97 °C (lit.) |
| 密度 | 1.561 g/mL at 25 °C (lit.) |
| 蒸気密度 | ~5.6 (vs air) |
| 蒸気圧 | ~40 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.284(lit.) |
| 引火点 | None |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | Soluble in waterChloroform (Slightly), Methanol (Slightly) |
| pKa（酸解離定数） | 0.38±0.10(Predicted) |
| 外観・状態 | 液体 |
| 色 | 無色透明～微褐色 |
| 比重 | 1.561 |
| BRN | 1773387 |
| ヘンリー定数 | 8.8×100 mol/(m3Pa) at 25℃, Kwan (2001) |
| 安定性 | 吸湿性 |
| 主な用途 | PFAS検査 |
| InChI | 1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) |
| InChIKey | LRMSQVBRUNSOJL-UHFFFAOYSA-N |
| SMILES | OC(=O)C(F)(F)C(F)(F)F |
| CAS データベース | 422-64-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Pentafluoropropionic acid(422-64-0) |
| EPAの化学物質情報 | Pentafluoropropionic acid (422-64-0) |
化学的特性
Perfluoropropionic acid (PFPrA[2]) or pentafluoropropionic acid is the perfluoroalkyl carboxylic acid with the formula CF3CF2CO2H. It is a clear colourless to slightly brown liquid that is strongly acidic and soluble in water and polar organic solvents.
安全性と法規制
| GHS 分類 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Propanoic acid, pentafluoro-2,2,3,3,3-Pentafluoropropionic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| RAIS Toxicity Values | 0.0005ORD Current |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Perfluoropropanoic acid (PFPrA)PFAS3The HBSL is based on the Noncancer RfD from Office of Research and DevelopmentSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 3.90e+015.80e+029.80e+004.00e-032.10e-035.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 1.20e+021.80e+032.90e+014.00e-035.00e-04Volatile |
| F | 3 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UF6475000 |
| 輸送番号（UN） |
用途
用途
有機合成原料。
使用
Pentafluoropropionic acid is used as an efficient catalyst for the preparation of dibenzo[a, j] xanthenes by condensation reaction of beta-naphthol with aryl aldehydes.
使用
Pentafluoropropionic acid (Perfluoropropionic acid) was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods.
一般的な説明
The kinetics of the reaction of pentafluoropropionic acid with fluorine atoms was studied.