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CS-W001157 4
Total: USD 88.00

2-Bromo-4-chloro-6-methylphenol

  • CAS No. 54852-68-5

  • Cat. No. CS-0043671
  • Purity≥97%
  • MDL No.MFCD00029750

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

2-Bromo-4-chloro-6-methylphenol|CS-0043671

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General Information

  • CAS No. 54852-68-5
  • Cat. No. CS-0043671
  • Purity ≥97%
  • MDL No. MFCD00029750
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrClO
  • Molecular Weight 221.48
  • Synonym(s) Phenol,2-bromo-4-chloro-6-methyl
  • SMILES OC1=C(C)C=C(Cl)C=C1Br

Description

2-Bromo-4-chloro-6-methylphenol offers a trifunctional aromatic scaffold with orthogonal reactivity, combining halogen sites for cross-coupling and a phenolic OH for derivatization. This bench-stable compound enables efficient access to complex heterocycles and functionalized arenes under standard conditions.

Application

2-Bromo-4-chloro-6-methylphenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted aromatic scaffolds. Its orthogonal halogenation pattern facilitates selective cross-coupling reactions, while the phenolic hydroxyl group offers direct derivatization potential. The molecule exhibits good bench stability and is readily purified by recrystallization, supporting reliable use in multi-step syntheses and scale-up workflows.

Synthesis

  • Route1

    References

    • Stropnik, Tadej; Bombek, Sergeja; Kocevar, Marijan; Polanc, Slovenko Tetrahedron Letters, 2008 , vol. 49, # 11 p. 1729 - 1733
  • Route2

    References

    • Stropnik, Tadej; Bombek, Sergeja; Kocevar, Marijan; Polanc, Slovenko Tetrahedron Letters, 2008 , vol. 49, # 11 p. 1729 - 1733
  • Route3

    References

    • Sarma, Jagarlapudi A.R.P.; Nagaraju, Akula Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 6 p. 1113 - 1118

Safety Information

Download SDS
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   20.23
  • LogP   3.11652
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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