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CS-W001157 4
Total: USD 88.00

4-(Bromomethyl)benzoic acid

  • CAS No. 6232-88-8

  • Cat. No. CS-B1333
  • Molecule weight215.04
  • Purity≥97%
  • MDL No.MFCD00002567

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

4-(Bromomethyl)benzoic acid|CS-B1333

Structure of 6232-88-8

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General Information

  • CAS No. 6232-88-8
  • Cat. No. CS-B1333
  • Purity ≥97%
  • MDL No. MFCD00002567
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₂
  • Molecular Weight 215.04
  • Synonym(s) 4-Carboxybenzyl bromide
  • SMILES BrCC1=CC=C(C(O)=O)C=C1

Application

4-(Bromomethyl)benzoic acid serves as a versatile building block for constructing biaryl and heterocyclic scaffolds via nucleophilic substitution. The bromomethyl group enables efficient functionalization through SN2 reactions, while the carboxylic acid moiety provides a handle for derivatization or salt formation. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Amati, Alessandro; Dosualdo, Gabriele; Zhao, Lihua; Bravo, Anna; Fontana, Francesca; Minisci, Francesco; Bjorsvik, Hans-Rene Organic Process Research and Development, 1998 , vol. 2, # 4 p. 261 - 269
  • Route2

    References

    • Behrens; Egholm; Buchardt Synthesis, 1992 , # 12 p. 1235 - 1236
  • Route3

    References

    • Tetrahedron, , vol. 65, # 22 p. 4429 - 4439

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2797
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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