Description

1-(4-Bromophenyl)butan-1-one (CAS No. 4981-64-0) is a high-purity brominated aromatic ketone with the molecular formula C₁₀H₁₁BrO. This compound, also known as 4′-Bromobutyrophenone, is a valuable intermediate in organic synthesis and pharmaceutical research. Its well-defined structure, featuring a bromine-substituted phenyl ring and a butanone moiety, makes it ideal for cross-coupling reactions, Grignard reactions, and as a precursor for bioactive molecules. Available in >98% purity (GC), it is supplied as a crystalline solid with strict quality control to ensure consistency in sensitive applications. Suitable for use in medicinal chemistry, material science, and as a reference standard in analytical laboratories. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 4981-64-0
• Complexity: 148
• IUPAC Name: 1-(4-bromophenyl)butan-1-one
• InChI: InChI=1S/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
• InChI Key: HOIDKJFWEVIJAT-UHFFFAOYSA-N
• Exact Mass: 225.99933
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.10
• SMILES: CCCC(=O)C1=CC=C(C=C1)Br
• Topological: 17.1
• Monoisotopic Mass: 225.99933
• Synonyms: 4′-Bromobutyrophenone, 1-Butanone, 1-(4-bromophenyl)-, p-Bromobutyrophenone, 1-(4-Bromophenyl)-1-butanone, Butyrophenone, 4′-bromo-, EINECS 225-632-6, NSC 76558, DTXSID9063663, DTXCID1040748, Butyrophenone, 4′-bromo-(8CI), 225-632-6, 1-(4-bromophenyl)butan-1-one, 4981-64-0, MFCD00017845, NSC-76558, NSC76558, EMU3AMT3NC, SCHEMBL2116189, SCHEMBL6975977, SCHEMBL6975979, 1-(4-Bromophenyl)-1-butanone #, ALBB-020857, BBL100037, STL200256, XH0738, AKOS002251275, AS-59286, SY090052, CS-0152468, NS00031971, ST45180100, F11251, EN300-1237874, F3099-7207

Application

1-(4-Bromophenyl)butan-1-one is widely used as a key building block in the synthesis of pharmaceuticals, particularly in the development of CNS-active compounds and antipsychotic agents. It serves as a precursor in Pd-catalyzed cross-coupling reactions (e.g., Suzuki-Miyaura) to introduce the 4-bromophenyl moiety into complex molecules. Researchers also utilize it in material science for the preparation of liquid crystals and photoactive polymers. Its ketone functionality allows for further derivatization via reduction or nucleophilic addition reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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