Description

1,1-Dibromo-3,3,3-trifluoroacetone (CAS No. 431-67-4) is a highly specialized halogenated organic compound with the molecular formula C₃HBr₂F₃O. This chemical, also known by its IUPAC name 3,3-dibromo-1,1,1-trifluoropropan-2-one, is a valuable reagent for synthetic organic chemistry and pharmaceutical research. Its unique structure, featuring both bromine and fluorine substituents, makes it a versatile intermediate for nucleophilic substitution reactions, fluorination processes, and the synthesis of complex heterocycles.

Our product is rigorously purified to meet the highest standards, ensuring optimal performance in sensitive applications. It is supplied in sealed containers under inert atmosphere to maintain stability and purity. Researchers and chemists will appreciate its consistent quality, which is critical for reproducible results in method development and scale-up processes.

Key applications include use as a building block for agrochemicals, pharmaceuticals, and advanced materials. Its reactivity profile allows for selective transformations, making it indispensable in medicinal chemistry and material science. Store in a cool, dry place away from light and moisture to preserve its integrity.

Properties

• CAS Number: 431-67-4
• Complexity: 119
• IUPAC Name: 3,3-dibromo-1,1,1-trifluoro-propan-2-one
• InChI: InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H
• InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N
• Exact Mass: 269.83257
• Molecular Formula: C3HBr2F3O
• Molecular Weight: 269.84
• SMILES: C(C(=O)C(F)(F)F)(Br)Br
• Topological: 17.1
• Monoisotopic Mass: 267.83462
• Synonyms: 1,1-Dibromo-3,3,3-trifluoroacetone, 431-67-4, DTXSID00338658, 1,1-Dibromo-3,3,3-tetrafluoromethyl-2-propanone, DTXCID90289741, 638-897-1, heppapzasxfwtb-uhfffaoysa-n, 3,3-dibromo-1,1,1-trifluoropropan-2-one, 3,3-Dibromo-1,1,1-trifluoroacetone, MFCD00041362, 3,3-Dibromo-1,1,1-trifluoro-2-propanone, C3HBr2F3O, 3,3-dibromo-1,1,1-trifluoro-propan-2-one, 2-Propanone, 3,3-dibromo-1,1,1-trifluoro-, dibromotrifluoroaceton, 3,3-dibromotrifluoroacetone, SCHEMBL216366, l,l-dibromo-3,3,3-trifluoroacetone, 1,1,1-trifluoro-3,3-dibromoacetone, AKOS005063738, 1,1-di-bromo-3,3,3-trifluoroacetone, 1,1-dibromo-3,3,3-trifluoro-acetone, CS-W012390, GS-3496, 3,3-dibromo-1,1,1-trifluoropropanone, 3,3-Dibromo-1,1,1-trifluoroacetone #, DB-051051, propanone, 1,1-dibromo-3,3,3-trifluoro-, A6980, D4004, ST51041389, EN300-42325, D77734, 3,3-Dibromo-1,1,1-trifluoro-2-propanone;1,1,1-Trifluoro-3,3-dibromoacetone;3,3-Dibromo-1,1,1-trifluoropropan-2-one

Application

1,1-Dibromo-3,3,3-trifluoroacetone is widely utilized as a key intermediate in the synthesis of fluorinated organic compounds. Its reactivity with nucleophiles enables the construction of complex molecular architectures, particularly in pharmaceutical and agrochemical research. This compound is also employed in the development of specialty materials, including liquid crystals and polymers, due to its ability to introduce both bromine and fluorine functionalities. Researchers value its role in cross-coupling reactions and as a precursor for bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H290 (18.2%): May be corrosive to metals [Warning Corrosive to Metals]
• H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (18.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (18.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (18.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (18.2%)
• Acute Tox. 4 (18.2%)
• Acute Tox. 4 (18.2%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (18.2%)
• Acute Tox. 4 (18.2%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.