Description

1-(2-Bromo-4-fluorophenyl)ethan-1-one (CAS: 1006-39-9) is a high-purity organic compound with the molecular formula C₈H₆BrFO. This halogenated acetophenone derivative is widely utilized in pharmaceutical research, agrochemical synthesis, and material science due to its versatile reactivity as a building block. The compound features a bromo and fluoro substituent on the phenyl ring, enhancing its electrophilic properties for cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig aminations. Supplied as a white to off-white crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency via GC-MS, NMR, and elemental analysis. Suitable for use under inert conditions, it is packaged in amber glass vials with argon padding to ensure stability. Ideal for researchers developing novel bioactive molecules or advanced materials.

Properties

• CAS Number: 1006-39-9
• Complexity: 160
• IUPAC Name: 1-(2-bromo-4-fluoro-phenyl)ethanone
• InChI: InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
• InChI Key: RCXFSBRMWBFWMH-UHFFFAOYSA-N
• Exact Mass: 215.95861
• Molecular Formula: C8H6BrFO
• Molecular Weight: 217.03
• SMILES: CC(=O)C1=C(C=C(C=C1)F)Br
• Topological: 17.1
• Monoisotopic Mass: 215.95861
• Synonyms: 1-(2-bromo-4-fluorophenyl)ethanone, 1-(2-bromo-4-fluorophenyl)ethan-1-one, 600-117-2, 1006-39-9, 2′-Bromo-4′-fluoroacetophenone, 2-Bromo-4-fluoroacetophenone, 1-Acetyl-2-bromo-4-fluorobenzene, Ethanone, 1-(2-bromo-4-fluorophenyl)-, MFCD00077464, 1-(2-bromo-4-fluoro-phenyl)ethanone, 1-(2-Bromo-4-fluorophenyl)ethanone; 2′-Bromo-4′-fluoroacetophenone;, SCHEMBL120277, DTXSID80371260, RCXFSBRMWBFWMH-UHFFFAOYSA-N, 2′-Bromo-4′-fluoroacetophenone, CL8634, SBB064291, 1-(2-Bromo-4-fluorophenyl)-ethanone, AKOS015835284, AC-3633, CS-W014824, 1-(2-bromo-4-fluoro-phenyl)-ethanone, AS-46062, SY017082, ST50408834, EN300-103964, Z1269135621, 2 inverted exclamation mark -Bromo-4 inverted exclamation mark -fluoroacetophenone

1-(2-Bromo-4-fluorophenyl)ethan-1-one serves as a key intermediate in the synthesis of pharmaceuticals, particularly for kinase inhibitors and CNS-targeting compounds. Its reactive ketone group enables facile derivatization via nucleophilic addition or reductive amination. In agrochemistry, it contributes to the development of fluorinated pesticides. The bromo substituent also facilitates palladium-catalyzed cross-coupling reactions in ligand design for catalysis.

Safety and Hazards

GHS Hazard Statements

• H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (12.5%)
• Skin Irrit. 2 (87.5%)
• Eye Irrit. 2A (87.5%)
• STOT SE 3 (12.5%)

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