Description

1-Bromo-3-(methylsulfonyl)benzene (CAS No. 34896-80-5) is a high-purity aromatic sulfone compound with the molecular formula C₇H₇BrO₂S. This white to off-white crystalline solid (MW: 235.10 g/mol) is a versatile building block in organic synthesis, featuring both a reactive bromo substituent and an electron-withdrawing methylsulfonyl group in meta-position. With 98%+ purity by HPLC, it is ideal for nucleophilic substitution reactions, cross-coupling reactions (Suzuki, Stille), and as a precursor for pharmaceuticals and agrochemicals. Packaged under inert gas in amber glass bottles to ensure stability. Technical specifications include: melting point 92-94°C, density 1.55 g/cm³, and storage recommendations at 2-8°C. SDS and Certificate of Analysis provided with each order.

Properties

• CAS Number: 34896-80-5
• Complexity: 217
• IUPAC Name: 1-bromo-3-methylsulfonyl-benzene
• InChI: InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
• InChI Key: WBOMXUMQOVQNKT-UHFFFAOYSA-N
• Exact Mass: 233.93501
• Molecular Formula: C7H7BrO2S
• Molecular Weight: 235.10
• SMILES: CS(=O)(=O)C1=CC(=CC=C1)Br
• Topological: 42.5
• Monoisotopic Mass: 233.93501
• Synonyms: 34896-80-5, Benzene, 1-bromo-3-(methylsulfonyl)-, m-Bromo(methylsulfonyl)benzene, DTXSID50188448, DTXCID80110939, 1-Bromo-3-(methylsulfonyl)benzene, 3-bromophenyl methyl sulfone, 3-Bromophenyl Methyl Sulphone, 3-Bromophenylmethylsulfone, 1-bromo-3-methylsulfonylbenzene, 3-Bromo phenyl methyl sulfone, 1-bromo-3-methanesulfonylbenzene, 3-bromophenylmethyl sulfone, MFCD03095326, 3-bromo-1-(methylsulfonyl)benzene, 1-bromo-3-mesylbenzene, 3-bromophenyl-methyl sulfone, SCHEMBL265696, SCHEMBL514350, 3-bromo-methanesulfonyl benzene, SCHEMBL1636862, SCHEMBL2168568, SCHEMBL16440019, SCHEMBL27224554, 1-bromo-3-methylsulfonyl-benzene, 1-bromo-3-methanesulfonyl benzene, 1-bromo-3-methanesulfonyl-benzene, BCP19786, STR08197, SBB098367, AKOS015835430, PS-4973, AC-10776, SY009420, B3893, CS-0044122, ST51041978, EN300-88840

Application

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical research where the methylsulfonyl group enhances metabolic stability. The bromine moiety enables facile functionalization via palladium-catalyzed couplings for drug discovery applications. Researchers also utilize it to create sulfone-containing liquid crystals and advanced materials with tailored electronic properties. Its electron-deficient aromatic ring makes it valuable in designing charge-transfer complexes for optoelectronic applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (75%)

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