Description

2-Bromo-4′-(methylsulfonyl)acetophenone (CAS: 50413-24-6) is a high-purity organic compound with the molecular formula C₉H₉BrO₃S. This brominated acetophenone derivative features a methylsulfonyl group at the para position, making it a versatile intermediate in synthetic organic chemistry. It is commonly used in the synthesis of pharmaceuticals, agrochemicals, and advanced materials due to its reactive bromoacetyl moiety. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring optimal performance in demanding applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 50413-24-6
• Complexity: 297
• IUPAC Name: 2-bromo-1-(4-methylsulfonylphenyl)ethanone
• InChI: InChI=1S/C9H9BrO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
• InChI Key: JOCMYOUZIDSYFO-UHFFFAOYSA-N
• Exact Mass: 275.94558
• Molecular Formula: C9H9BrO3S
• Molecular Weight: 277.14
• SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)CBr
• Topological: 59.6
• Monoisotopic Mass: 275.94558
• Synonyms: 2-Bromo-4′-(methylsulfonyl)acetophenone, 678-177-4, 50413-24-6, 2-Bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone, 2-bromo-1-(4-(methylsulfonyl)phenyl)ethanone, 2-bromo-1-(4-methylsulfonylphenyl)ethanone, Ethanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]-, 2-Bromo-1-(4-methanesulfonyl-phenyl)-ethanone, 4-(METHYLSULPHONYL)PHENACYL BROMIDE, 2-bromo-1-[4-(methylsulfonyl)phenyl]ethanone, VBF9OCP8XO, MFCD00673134, 2-bromo-1-(4-methanesulfonylphenyl)ethan-1-one, p-methylsulfonylphenacyl bromide, Ethanone, 2-bromo-1-(4-(methylsulfonyl)phenyl)-, 2-bromo-1-(4-methanesulfonylphenyl)ethanone, UNII-VBF9OCP8XO, SCHEMBL125350, 4-methylsulphonylphenacyl bromide, DTXSID10352845, 4-(methylsulfonyl)phenacyl bromide, BCP22643, SBB051664, 2-bromo-4′-methanesulfonylacetophenone, AKOS000210897, SB37388, 2-bromo-4′-methylsulphonyl acetophenone, 2-bromo-4′-(methylsulfonyl) acetophenone, AC-16484, SY050818, DB-010944, 2bromo-1-(4-(methylsulfonyl)phenyl)ethanone, B2573, CS-0186566, NS00122592, 2-bromo-l-(4-(methylsulfonyl)phenyl)ethanone, EN300-11685, 2-bromo-1-(4-(methylsulfonyl) phenyl)ethanone, 2-bromo-1-(4-(methylsulfonyl)phenyl) ethanone, 2-bromo-1-(4-methanesulphonylphenyl)-ethanone, D88941, 2-bromo-l-(4-(methylsulfonyl) phenyl) ethanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]ethan-1-one, 9W-0291, 2-Bromo-1-[4-(methanesulfonyl)phenyl]ethan-1-one, 2-BROMO-1-(4-(METHANESULFONYL)PHENYL)ETHANONE, Z57980561, 2-Bromo-4 inverted exclamation mark -(methylsulfonyl)acetophenone

2-Bromo-4′-(methylsulfonyl)acetophenone serves as a key building block in nucleophilic substitution reactions and Suzuki couplings. It is widely employed in medicinal chemistry for the synthesis of kinase inhibitors and anti-inflammatory agents. Researchers also utilize it in material science for designing sulfone-functionalized polymers. The methylsulfonyl group enhances electrophilicity, facilitating selective modifications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

Precautionary Statements

• P203, 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, P318, P321, P330, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (50%)
• Acute Tox. 4 (100%)
• Muta. 2 (100%)

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