Description

1-(2-Bromo-5-fluorophenyl)ethan-1-one (CAS No. 1006-33-3) is a high-purity aromatic ketone compound with the molecular formula C₈H₆BrFO. This halogenated acetophenone derivative features a bromine and fluorine substitution on the phenyl ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is characterized by its white to off-white crystalline appearance and is supplied with ≥98% purity (GC) to ensure consistency in experimental results. It is stable under recommended storage conditions (2-8°C in a tightly sealed container, protected from light and moisture) and is suitable for use in Suzuki couplings, Grignard reactions, and other transition metal-catalyzed processes. MSDS and NMR spectra are available upon request.

Properties

• CAS Number: 1006-33-3
• Complexity: 160
• IUPAC Name: 1-(2-bromo-5-fluoro-phenyl)ethanone
• InChI: InChI=1S/C8H6BrFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
• InChI Key: BQXROZQUDCJBBY-UHFFFAOYSA-N
• Exact Mass: 215.95861
• Molecular Formula: C8H6BrFO
• Molecular Weight: 217.03
• SMILES: CC(=O)C1=C(C=CC(=C1)F)Br
• Topological: 17.1
• Monoisotopic Mass: 215.95861
• Synonyms: 1006-33-3, 1-(2-bromo-5-fluorophenyl)ethanone, 1-(2-bromo-5-fluorophenyl)ethan-1-one, DTXSID10627949, DTXCID30578702, 600-114-6, 2′-BROMO-5′-FLUOROACETOPHENONE, Ethanone, 1-(2-bromo-5-fluorophenyl)-, 1-(2-bromo-5-fluoro-phenyl)ethanone, MFCD07780635, 2-Bromo-5-Fluoroacetophenone, 2 inverted exclamation mark -Bromo-5 inverted exclamation mark -fluoroacetophenone, SCHEMBL485712, BQXROZQUDCJBBY-UHFFFAOYSA-N, l-(2-bromo-5-fluorophenyl)ethanone, BBL102220, STL556019, AKOS015890107, AC-3634, 1-(2-bromo-5-fluoro-phenyl)-ethanone, AS-19332, SY047075, CS-0019646, EN300-248678

Application

1-(2-Bromo-5-fluorophenyl)ethan-1-one serves as a key building block in the synthesis of biologically active molecules, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to construct complex heterocyclic systems. Its electron-deficient aromatic ring makes it valuable in materials science for creating organic semiconductors and liquid crystals. The presence of both bromine and fluorine substituents allows for selective further functionalization in medicinal chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2 (66.7%)
• STOT SE 3 (33.3%)

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