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CS-W001157 4
Total: USD 88.00

3-Carboxy-4-fluorophenylboronic acid

  • CAS No. 872460-12-3

  • Cat. No. CS-W004129
  • Purity≥96%
  • MDL No.MFCD03095129

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

3-Carboxy-4-fluorophenylboronic acid|CS-W004129

Structure of 872460-12-3

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General Information

  • CAS No. 872460-12-3
  • Cat. No. CS-W004129
  • Purity ≥96%
  • MDL No. MFCD03095129
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BFO₄
  • Molecular Weight None
  • Synonym(s) 3-Carboxy-4-fluorobenzeneboronic Acid (contains varying amounts of Anhydride)
  • SMILES FC1=C(C(O)=O)C=C(B(O)O)C=C1

Description

This boronic acid features a carboxylic acid group ortho to a fluorine-substituted phenyl ring, enabling dual functionality in cross-coupling and conjugation workflows. The electron-deficient aryl moiety enhances reactivity in Suzuki-Miyaura reactions under standard conditions, while the carboxylate facilitates derivatization or metal coordination. Bench-stable and moisture-tolerant, it streamlines synthesis of functionalized biaryl scaffolds and targeted probes.

Application

3-Carboxy-4-fluorophenylboronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient C–C bond formation under mild conditions. The ortho-fluoro and carboxylic acid functionalities provide orthogonal reactivity for downstream derivatization, while the boronic acid group offers good bench stability and ease of purification. This compound facilitates access to substituted phenyl scaffolds relevant to medicinal chemistry and materials science.

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   77.76
  • LogP   -0.7963
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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