1-Bromo-3,3,3-trifluoroacetone, 97%

Description

CAS: 431-35-6 | C3H2BrF3O | 190.95 g/mol

1-Bromo-3,3,3-trifluoroacetone is used in the preparation of 3-nonylthio-1,1,1-trifluoropropan-2-one and perfluoroalkylated trans-allylic alcohols. It is involved in the synthesis of cyclic tetrapeptides. Further, it reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to produce ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
1-Bromo-3,3,3-trifluoroacetone is used in the preparation of 3-nonylthio-1,1,1-trifluoropropan-2-one and perfluoroalkylated trans-allylic alcohols. It is involved in the synthesis of cyclic tetrapeptides. Further, it reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to produce ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.

Solubility
Immiscible with water.

Notes
Incompatible with strong oxidizing agents and bases.

Specifications

Chemical Identifiers

• CAS: 431-35-6
• Molecular Formula: C3H2BrF3O
• Molecular Weight (g/mol): 190.95
• MDL Number: MFCD00039237
• InChI Key: ONZQYZKCUHFORE-UHFFFAOYSA-N
• Synonym: 3-bromo-1,1,1-trifluoroacetone, 1-bromo-3,3,3-trifluoroacetone, bromotrifluoroacetone, 3-bromo-1,1,1-trifluoro-2-propanone, 3-bromo-1,1,1-trifluoropropanone, 1-bromo-3,3,3-trifluoro-2-propanone, 2-propanone, 3-bromo-1,1,1-trifluoro, 1,1,1-trifluoro-3-bromopropanone, 3-bromo-1,1,1-trifluoro-propan-2-one, bromotrifloroacetone
• PubChem CID: 79008
• IUPAC Name: 3-bromo-1,1,1-trifluoropropan-2-one
• SMILES: FC(F)(F)C(=O)CBr

• Melting Point: <-80°C
• Density: 1.822
• Boiling Point: 85°C to 87°C
• Flash Point: −2°C (28°F)
• Odor: Pungent
• Refractive Index: 1.376
• Quantity: 5 g
• UN Number: UN2924
• Beilstein: 1703387
• Solubility Information: Immiscible with water.
• Formula Weight: 190.95
• Percent Purity: 97%
• Chemical Name or Material: 1-Bromo-3,3,3-trifluoroacetone

Safety and Handling

Hazard Category	H225-H314
Hazard Statement	GHS H Statement H225-H314-H318 Highly flammable liquid and vapour. Causes severe skin burns and eye damage. Causes serious eye damage.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: FLAMMABLE LIQUIDS, CORROSIVE, N.O.S.
EINECSNumber	207-071-9
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only