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CS-W001157 4
Total: USD 88.00

2,6-Dichloro-3-fluorobenzoic acid

  • CAS No. 178813-78-0

  • Cat. No. CS-W021521
  • Purity≥98%
  • MDL No.MFCD06658165

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

2,6-Dichloro-3-fluorobenzoic acid|CS-W021521

Structure of 178813-78-0

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General Information

  • CAS No. 178813-78-0
  • Cat. No. CS-W021521
  • Purity ≥98%
  • MDL No. MFCD06658165
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₂FO₂
  • Molecular Weight 209.00
  • Synonym(s) 6-Dichloro-3-fluorobenzoic acid
  • SMILES O=C(O)C1=C(Cl)C=CC(F)=C1Cl

Description

2,6-Dichloro-3-fluorobenzoic acid features a highly electron-deficient aromatic core stabilized by orthogonal halogen substituents. This configuration enhances its utility in coupling reactions and as a building block for bioactive heterocycles. The carboxylic acid group enables direct functionalization under standard conditions.

Application

2,6-Dichloro-3-fluorobenzoic acid serves as a valuable building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-dichloro and meta-fluoro substitution pattern enables selective functionalization in late-stage derivatization, offering enhanced metabolic stability and favorable lipophilicity. The carboxylic acid group facilitates direct coupling reactions, amidation, or esterification under standard conditions, with excellent bench stability and ease of purification.

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.8307
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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