401455

4,4,4-三氟丁炔-2-酸乙酯

97%

• 线性分子式: CF₃C≡CCO₂C₂H₅
• CAS号: 79424-03-6
• 分子量: 166.10
• Beilstein: 3539414
• MDL號碼: MFCD00192167
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24865017
• NACRES: NA.22

属性

• 品質等級: 100
• 化驗: 97%
• 形狀: liquid
• 折射率: n20/D 1.350 (lit.)
• bp: 96-98 °C (lit.)
• 密度: 1.162 g/mL at 25 °C (lit.)
• 官能基: ester; fluoro
• SMILES 字串: CCOC(=O)C#CC(F)(F)F
• InChI: 1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
• InChI 密鑰: SFDRHPQGYUYYNX-UHFFFAOYSA-N

说明

一般說明

Ethyl 4,4,4-trifluoro-2-butynoate is an unsymmetrical internal alkyne.

應用

Ethyl 4,4,4-trifluoro-2-butynoate has been used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes.

It may be used in the synthesis of the following compounds :

• (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(5-(ethoxycarbonyl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate
• (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(6-(ethoxycarbonyl)-5-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1Hbenzo[f]isochromene-7-carboxylate

安全信息

• 象形圖: GHS02,GHS07
• 訊號詞: Danger
• 危險聲明: H225,H315,H319,H335
• 防範說明: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• 危險分類: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• 標靶器官: Respiratory system
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: 42.8 °F - closed cup
• 閃點（°C）: 6 °C - closed cup
• 個人防護裝備: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter