T62804

1,1,1-Trifluoroacetone

97%

• Synonym(s): α,α,α-Trifluoroacetone, 1,1,1-Trifluoro-2-propanone, 3,3,3-Trifluoroacetone, Methyl trifluoromethyl ketone, Trifluoromethyl methyl ketone
• Linear Formula: CH₃COCF₃
• CAS Number: 421-50-1
• Molecular Weight: 112.05
• Beilstein: 1748614
• EC Number: 207-005-9
• MDL number: MFCD00000423
• UNSPSC Code: 12352100
• PubChem Substance ID: 24900365
• NACRES: NA.22

Properties

• vapor pressure: 13.62 psi ( 20 °C)
• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.3 (lit.)
• bp: 22 °C (lit.)
• density: 1.252 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: CC(=O)C(F)(F)F
• InChI: 1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
• InChI key: FHUDAMLDXFJHJE-UHFFFAOYSA-N

Description

Application

Used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines. The derived chiral imine was used to prepare enantiopure α-trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction.

Safety Information

• Pictograms: GHS02,GHS05
• Signal Word: Danger
• Hazard Statements: H224,H314,H412
• Precautionary Statements: P210 - P233 - P280 - P303 + P361 + P353 - P305 + P351 + P338 - P403 + P233
• Hazard Classifications: Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 1 - Skin Corr. 1B
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): -22.0 °F - closed cup
• Flash Point(C): -30 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves