Description

Bromotrifluoroacetone (CAS No. 431-35-6) is a highly reactive fluorinated organic compound with the molecular formula C₃H₂BrF₃O and IUPAC name 3-bromo-1,1,1-trifluoropropan-2-one. This specialized chemical is characterized by its trifluoromethyl and bromo-functionalized ketone structure, making it a valuable intermediate in synthetic organic and organofluorine chemistry. The presence of both electron-withdrawing fluorine and bromine substituents enhances its utility in nucleophilic substitution reactions, cyclizations, and as a building block for pharmaceuticals, agrochemicals, and advanced materials. Available in high purity grades (typically ≥95%), Bromotrifluoroacetone is supplied in rigorously controlled conditions to ensure stability and performance. Suitable for research and industrial applications, this compound requires careful handling due to its reactivity and potential lachrymatory effects. Store under inert atmosphere at recommended temperatures to maintain integrity.

Properties

• CAS Number: 431-35-6
• Complexity: 97.2
• IUPAC Name: 3-bromo-1,1,1-trifluoro-propan-2-one
• InChI: InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
• InChI Key: ONZQYZKCUHFORE-UHFFFAOYSA-N
• Exact Mass: 189.92411
• Molecular Formula: C3H2BrF3O
• Molecular Weight: 190.95
• SMILES: C(C(=O)C(F)(F)F)Br
• Topological: 17.1
• Monoisotopic Mass: 189.92411
• Synonyms: 3-Bromo-1,1,1-trifluoroacetone, 431-35-6, 1-Bromo-3,3,3-trifluoroacetone, Bromotrifluoroacetone, 3-Bromo-1,1,1-trifluoro-2-propanone, 53REV65E85, EINECS 207-071-9, 3,3,3-trifluorobromoacetone, DTXSID30195690, DTXCID70118181, inchi=1/c3h2brf3o/c4-1-2(8)3(5,6)7/h1h, onzqyzkcuhfore-uhfffaoysa-n, 3-bromo-1,1,1-trifluoropropan-2-one, 3-Bromo-1,1,1-trifluoropropanone, 2-Propanone, 3-bromo-1,1,1-trifluoro-, MFCD00039237, 1-Bromo-3,3,3-trifluoro-2-propanone, C3H2BrF3O, 1,1,1-TRIFLUORO-3-BROMOPROPANONE, 1,1,1-trifluoro-3-bromoacetone, bromotrifloroacetone, 3-bromo-1,1,1-trifluoro-propan-2-one, CF3COCH2Br, SCHEMBL71390, UNII-53REV65E85, bromo-1,1,1-trifluoroacetone, bromo-3,3,3-trifluoropropanone, 1,1,1-trifluoro-3-bromo-acetone, 3-bromo-1,1, 1-trifluoroacetone, SBB006605, STL138411, AKOS000119373, 1-bromo-3,3,3-trifluoropropan-2-one, CS-W013229, 3-Bromo-1,1,1-trifluoroacetone, 98%, LS-12948, PD193105, DB-051034, B1240, NS00042864, ST51038245, EN300-20482, H10738, F0001-1189

Application

Bromotrifluoroacetone is widely employed as a key fluorinated synthon in pharmaceutical and agrochemical research, particularly in the synthesis of trifluoromethylated heterocycles. It serves as a versatile precursor for nucleophilic displacement reactions, where the bromo group can be substituted to introduce diverse functionalities. In materials science, it is utilized to modify polymers and coatings with fluorinated moieties for enhanced chemical resistance. Additionally, its reactivity makes it useful in cross-coupling reactions and as a ligand modifier in catalysis.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Skin Corr. 1B (100%)

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