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CS-W001157 4
Total: USD 88.00

1-(Bromomethyl)-4-(methylsulfonyl)benzene

  • CAS No. 53606-06-7

  • Cat. No. CS-W002487
  • Purity≥97%
  • MDL No.MFCD00185849

*For research and further manufacturing use only, not for direct human use.

1-(Bromomethyl)-4-(methylsulfonyl)benzene|CS-W002487

Structure of 53606-06-7

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General Information

  • CAS No. 53606-06-7
  • Cat. No. CS-W002487
  • Purity ≥97%
  • MDL No. MFCD00185849
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BrO₂S
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=S(C1=CC=C(CBr)C=C1)(C)=O

Description

1-(Bromomethyl)-4-(methylsulfonyl)benzene features a reactive bromomethyl handle paired with a robust methylsulfonyl group, enabling efficient functionalization in late-stage derivatization. This aryl halide exhibits excellent stability under standard conditions and integrates readily into cross-coupling processes.

Application

1-(Bromomethyl)-4-(methylsulfonyl)benzene serves as a versatile arylalkyl building block for C–C and C–heteroatom coupling reactions. The bromomethyl group enables efficient Suzuki, Stille, and Negishi couplings, while the para-methylsulfonyl group provides strong electron-withdrawing character and excellent stability under diverse reaction conditions. This combination facilitates direct functionalization in late-stage diversification and offers straightforward purification due to high crystallinity and low background reactivity.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.985
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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