249831

Methyltrifluoracetat

99%

• Synonym(e): Methyl 2,2,2-trifluoroacetate, Methyl perfluoroacetate
• Lineare Formel: CF₃COOCH₃
• CAS-Nummer: 431-47-0
• Molekulargewicht: 128.05
• Beilstein: 1756070
• EG-Nummer: 207-074-5
• MDL-Nummer: MFCD00000417
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24855016
• NACRES: NA.22

Eigenschaften

• Dampfdruck: 5.77 psi ( 20 °C)
• Qualitätsniveau: 200
• Assay: 99%
• Form: liquid
• Brechungsindex: n20/D 1.291 (lit.)
• bp: 43-43.5 °C (lit.)
• Dichte: 1.273 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: ester; fluoro
• SMILES String: COC(=O)C(F)(F)F
• InChI: 1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
• InChIKey: VMVNZNXAVJHNDJ-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

Methyl trifluoroacetate along with cesium fluoride or cesium chloride and CuI constitutes a valuable trifluoromethylating reagent for substituting aromatic (or heteroaromatic) iodides and bromides. Adsorption of methyl trifluoroacetate on amorphous silica has been investigated. Fragmentation mechanism of generation of metastable ions from methyl trifluoroacetate has been investigated by mass analyzed ion kinetic energy spectra and ab initio molecular orbital calculations.

Anwendung

Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.

Sicherheitshinweise

• Piktogramme: GHS02,GHS05
• Signalwort: Danger
• H-Sätze: H225,H314
• P-Sätze: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Gefahreneinstufungen: Flam. Liq. 2 - Skin Corr. 1B
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 1
• Flammpunkt (°F): -4.0 °F - closed cup
• Flammpunkt (°C): -20 °C - closed cup
• Persönliche Schutzausrüstung: Faceshields, Gloves, Goggles