2,2,3,3-テトラフルオロ-1-プロパノール
2,2,3,3-テトラフルオロ-1-プロパノール · 2,2,3,3-テトラフルオロプロパノール · 1,1,3-トリヒドロペルフルオロプロパノール · 1,1,3-トリヒドロパーフルオロプロパノール · 2,2,3,3-テトラフルオロプロパン-1-オール · 2,2,3,3-テトラフルオロプロパンオル · 2,2,3,3-テトラフルオロプロパノ-ル · 1H,1H,3H-テトラフルオロプロパノール
識別子と物理属性
| CAS No. | 76-37-9 |
|---|---|
| 分子式 | C3H4F4O |
| 平均分子量 | 132.06 g/mol |
| 単同位体質量 | 132.0198274 g/mol |
| SMILES | OCC(F)(F)C(F)F |
| InChIKey | NBUKAOOFKZFCGD-UHFFFAOYSA-N |
| PubChem CID | 6441 |
| EC No. | 200-955-5 |
| DTXSID | DTXSID8058796 |
| 現地名 | 2,2,3,3-テトラフルオロ-1-プロパノール |
化学・物理的性質
| XLogP | 1.1 |
|---|---|
| 極性表面積 | 20.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 2 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 71 |
| Kovats Retention Index | 636640651 |
| 融点 | -15°C |
| 沸点 | 109 °C |
| 密度 | 1.48 g/mL at 20 °C(lit.) |
| 屈折率 | n20/D 1.321(lit.) |
| 引火点 | 110 °F |
| 貯蔵条件 | Sealed in dry,2-8°C |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 13.05±0.10(Predicted) |
| 色 | 無色透明 |
| 比重 | 1.481.471 |
| 溶解度 | 水に溶ける。 |
| Merck | 14,9206 |
| BRN | 1738264 |
| ヘンリー定数 | 1.4×100 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| 安定性 | 安定。可燃性。強酸化剤、強塩基、ナトリウム、カリウム、酸塩化物、酸無水物とは相容れない。 |
| InChI | 1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2 |
| InChIKey | NBUKAOOFKZFCGD-UHFFFAOYSA-N |
| SMILES | OCC(F)(F)C(F)F |
| CAS データベース | 76-37-9(CAS DataBase Reference) |
| NISTの化学物質情報 | 2,2,3,3-Tetrafluoro-1-propanol(76-37-9) |
| EPAの化学物質情報 | 1-Propanol, 2,2,3,3-tetrafluoro- (76-37-9) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (53.9%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (85.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (81.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (17.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 193 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: 1-Propanol, 2,2,3,3-tetrafluoro-Status: Active Update: 29-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/236102,2,3,3-tetrafluoropropan-1-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 4 (53.9%)Eye Irrit. 2A (85.5%)Acute Tox. 3 (81.9%)Acute Tox. 4 (17.1%) |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UB9400000 |
| 輸送番号（UN） | UN 1986 3/PG 3 |
| 税関コード | 29051990 |
| 危険文句（R） | 10-20-36-36/37/38 |
| 化審法 |
用途
用途
溶剤、有機合成原料。
使用
2,2,3,3-Tetrafluoro-1-propanol, is used as an essential fluorinated fine chemical, the main application of TFP is as a dye solvent in CD-R(W) and DVD-R(W) industry. It is also used in making textile treatment agent and pharmaceuticals. This chemical is an ideal replacement for Freon 22 detergent.
一般的な説明
2,2,3,3-Tetrafluoro-1-propanol (TFP) is extensively used as the solvent. Mineralization and defluoridation of TFP by UV oxidation in a novel three-phase fluidized bed reactor was reported. Desorption of activated carbon loaded with TFP by supercritical carbon dioxide in a rotating packed bed was investigated.
製法・合成法
純化方法
Tetrafluoro-1-propanol (450mL) is added to a solution of 2.25g of NaHSO3 in 90mL of water, shaken vigorously and set aside for 24hours. The fraction distilling at or above 99o is refluxed for 4hours with 5-6g of KOH and rapidly distilled, followed by a final fractional distillation. [Kosower & Wu J Am Chem Soc 83 3142 1961.] Alternatively, shake the alcohol with alumina for 24hours, dry it overnight with anhydrous K2CO3 and distil it, taking the middle fraction (b 107-108o). [Beilstein 1 IV 2438.]