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CS-W001157 4
Total: USD 88.00

3-Bromo-4-fluorobenzoic acid

  • CAS No. 1007-16-5

  • Cat. No. CS-W004834
  • Purity≥98%
  • MDL No.MFCD00042463

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

3-Bromo-4-fluorobenzoic acid|CS-W004834

Structure of 1007-16-5

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General Information

  • CAS No. 1007-16-5
  • Cat. No. CS-W004834
  • Purity ≥98%
  • MDL No. MFCD00042463
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrFO₂
  • Molecular Weight 219.01
  • Synonym(s) 3-bromo-4-fluorobenzoate
  • SMILES O=C(O)C1=CC=C(F)C(Br)=C1

Description

3-Bromo-4-fluorobenzoic acid features a benzene ring bearing bromine at the meta position and fluorine at the ortho position relative to the carboxylic acid group. This electron-deficient aromatic scaffold enables direct coupling in cross-coupling reactions and serves as a key building block for pharmaceutical intermediates, agrochemicals, and functional materials requiring halogen-directed functionalization.

Application

3-Bromo-4-fluorobenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling direct incorporation of halogenated aromatic motifs. Its ortho-bromine and meta-fluorine substituents provide complementary reactivity in palladium-catalyzed cross-coupling reactions and electrophilic substitution processes. The carboxylic acid functionality facilitates derivatization into amides, esters, or acid chlorides, supporting diverse downstream transformations. Bench-stable and readily purified by recrystallization, it functions efficiently in standard synthetic workflows requiring halogen-directed functionalization.

Synthesis

  • Route1

    References

    • Ebisawa, Masaru; Ueno, Masahiro; Oshima, Yoshiteru; Kondo, Yoshinori Tetrahedron Letters, 2007 , vol. 48, # 50 p. 8918 - 8921
  • Route2

    References

    • Gohier, Frederic; Castanet, Anne-Sophie; Mortier, Jacques Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1501 - 1504
  • Route3

    References

    • Journal of the Indian Chemical Society, , vol. 21, p. 112,114

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2864
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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