401455

Ethyl 4,4,4-trifluoro-2-butynoate

97%

• Fórmula linear: CF₃C≡CCO₂C₂H₅
• Número CAS: 79424-03-6
• Peso molecular: 166.10
• Beilstein: 3539414
• Número MDL: MFCD00192167
• Código UNSPSC: 12352100
• ID de substância PubChem: 24865017
• NACRES: NA.22

Propriedades

• Nível de qualidade: 100
• Ensaio: 97%
• forma: liquid
• índice de refração: n20/D 1.350 (lit.)
• pb: 96-98 °C (lit.)
• densidade: 1.162 g/mL at 25 °C (lit.)
• cadeia de caracteres SMILES: CCOC(=O)C#CC(F)(F)F
• InChI: 1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
• chave InChI: SFDRHPQGYUYYNX-UHFFFAOYSA-N

Descrição

Descrição geral

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

Aplicação

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

Informações de segurança

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H225 - H315 - H319 - H335
• Declarações de precaução: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Classificações de perigo: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• Órgãos-alvo: Respiratory system
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 42.8 °F - closed cup
• Ponto de fulgor (°C): 6 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter