化工社化工社 化学情報印刷レポート · 研究参考用
1-フルオロプロパン-2-オン
メチル(フルオロメチル)ケトン · 1-フルオロプロパン-2-オン · 1-フルオロ-2-プロパノン · 1-フルオロアセトン · フルオロアセトン · 1-Fluoropropan-2-one · CH3COCH2F · FLUOROACETONE
識別子と物理属性
| CAS No. | 430-51-3 |
|---|---|
| 分子式 | C3H5FO |
| 平均分子量 | 76.07 g/mol |
| 単同位体質量 | 76.03244294 g/mol |
| SMILES | CC(=O)CF |
| InChIKey | MSWVMWGCNZQPIA-UHFFFAOYSA-N |
| PubChem CID | 9889 |
| EC No. | 207-064-0 |
| DTXSID | DTXSID70195619 |
| 現地名 | 1-フルオロプロパン-2-オン |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 42 |
| 蒸気圧 | 63.4 [mmHg] |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| 沸点 | 75 °C (lit.) |
| 密度 | 1.054 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.37(lit.) |
| 引火点 | 45 °F |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 粉 |
| 比重 | 1.054 |
| 色 | 赤から濃い赤 |
| ヘンリー定数 | 4.6×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| InChI | 1S/C3H5FO/c1-3(5)2-4/h2H2,1H3 |
| InChIKey | MSWVMWGCNZQPIA-UHFFFAOYSA-N |
| SMILES | CC(=O)CF |
化学的特性
clear colorless to light yellow liquid
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 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. |
|---|---|
| 有害性の概要 | Causes multiple liver effects, acute tubular necrosis and changes in the spleen in inhalation lethal-concentration studies of mice[RTECS] A lachrymator and vesicantHighly toxic by ingestion, inhalation, and skin absorptionTargets the liver, spleen, and kidney[Sigma-Aldrich MSDS] See Chloroacetone. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Acute Tox. 2 (100%) |
| 有害作用 | Nephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting.Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Toxicity Data | LC50 (mouse) = 1,000 mg/m3 |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 2929 6.1/PG 1 |
| 税関コード | 29147000 |
| 危険文句（R） | 11-26/27/28 |
| 危険表示 | F,T+,T |
| hazard_note | Highly Toxic/Flammable |
| 安全措置（S） | 16-36-45 |
| 危険等級 | 6.1(a)Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralFlam. Liq. 2 |
| 包装等級 | II |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
Fluoroacetone has been used as a catalyst to study the kinetics of the ketone-catalysed decomposition of peroxymonosulfuric acid (Caro′s acid).
一般的な説明
Aldolizations of fluoroacetone with aldehydes mediated by organocatalyst yield products with high enantioselectivities.