374059

3-Bromo-1,1,1-trifluoroacetone

98%

• Synonym(s): 1,1,1-Trifluoro-3-bromo-2-propanone, 1,1,1-Trifluoro-3-bromoacetone, 1,1,1-Trifluoro-3-bromopropanone, 1-Bromo-3,3,3-trifluoroacetone, 3-Bromo-1,1,1-trifluoro-2-propanone, Bromomethyl trifluoromethyl ketone, Bromotrifluoro-2-propanone
• Linear Formula: CF₃COCH₂Br
• CAS Number: 431-35-6
• Molecular Weight: 190.95
• Beilstein: 1703387
• EC Number: 207-071-9
• MDL number: MFCD00039237
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863276
• NACRES: NA.22

Properties

• Assay: 98%
• form: liquid
• refractive index: n20/D 1.376 (lit.)
• bp: 87 °C/743 mmHg (lit.)
• density: 1.839 g/mL at 25 °C (lit.)
• SMILES string: FC(F)(F)C(=O)CBr
• InChI: 1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
• InChI key: ONZQYZKCUHFORE-UHFFFAOYSA-N

Description

General description

3-Bromo-1,1,1-trifluoroacetone reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to yield ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.

Application

3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:

• 3-nonylthio-1,1,1-trifluoropropan-2-one
• cyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional group
• perfluoroalkylated trans-allylic alcohols

Safety Information

• Pictograms: GHS02,GHS05
• Signal Word: Danger
• Hazard Statements: H225,H314
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Flam. Liq. 2 - Skin Corr. 1B
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 41.0 °F - closed cup
• Flash Point(C): 5 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves