401455

Ethyl-4,4,4-trifluor-2-butinoat

97%

• Lineare Formel: CF₃C≡CCO₂C₂H₅
• CAS-Nummer: 79424-03-6
• Molekulargewicht: 166.10
• Beilstein: 3539414
• MDL-Nummer: MFCD00192167
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24865017
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 97%
• Form: liquid
• Brechungsindex: n20/D 1.350 (lit.)
• bp: 96-98 °C (lit.)
• Dichte: 1.162 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: ester; fluoro
• SMILES String: CCOC(=O)C#CC(F)(F)F
• InChI: 1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
• InChIKey: SFDRHPQGYUYYNX-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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

Anwendung

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

Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Danger
• H-Sätze: H225,H315,H319,H335
• P-Sätze: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 3
• Flammpunkt (°F): 42.8 °F - closed cup
• Flammpunkt (°C): 6 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter