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CS-W001157 4
Total: USD 88.00

5-Bromo-2-chloro-1-fluoro-3-methoxybenzene

  • CAS No. 1261216-28-7

  • Cat. No. CS-0061959
  • Purity≥95%
  • MDL No.MFCD28142798

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

5-Bromo-2-chloro-1-fluoro-3-methoxybenzene|CS-0061959

Structure of 1261216-28-7

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General Information

  • CAS No. 1261216-28-7
  • Cat. No. CS-0061959
  • Purity ≥95%
  • MDL No. MFCD28142798
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrClFO
  • Molecular Weight 239.47
  • Synonym(s) 5-bromo-2-chloro-3-fluoroanisole
  • SMILES COC1=CC(=CC(=C1Cl)F)Br

Description

5-Bromo-2-chloro-1-fluoro-3-methoxybenzene features a strategically substituted aromatic core enabling precise functionalization in cross-coupling and electrophilic substitution reactions. The trifunctional aryl halide system—bearing bromine, chlorine, and fluorine—permits sequential transformations under orthogonal conditions. This electron-deficient platform integrates readily into complex molecular architectures with high chemoselectivity and stability under standard bench protocols.

Application

5-Bromo-2-chloro-1-fluoro-3-methoxybenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity profile. The ortho-chloro and meta-bromo substituents facilitate selective functionalization, while the methoxy group provides electronic modulation and enhanced solubility. Bench-stable and amenable to standard purification methods, it functions reliably in Suzuki, Stille, and Negishi coupling workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.2502
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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