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CS-W001157 4
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4-Chloro-2-fluoro-3-methylbenzoic acid

  • CAS No. 153556-55-9

  • Cat. No. CS-0061147
  • Molecule weight188.58
  • Purity≥95%
  • MDL No.None

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

4-Chloro-2-fluoro-3-methylbenzoic acid|CS-0061147

Structure of 153556-55-9

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General Information

  • CAS No. 153556-55-9
  • Cat. No. CS-0061147
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClFO₂
  • Molecular Weight 188.58
  • Synonym(s) 4-CHLORO-2-FLUORO-3-METHYL-BENZOIC
  • SMILES CC1=C(C(=CC=C1Cl)C(=O)O)F

Description

4-Chloro-2-fluoro-3-methylbenzoic acid features a trifunctional aromatic core with orthogonal reactivity, enabling direct integration into bioactive scaffolds. The ortho-halogenated framework enhances electrophilic substitution potential, while the methyl group provides steric modulation. This bench-stable derivative offers high functional group tolerance and delivers precise electronic tuning for medicinal chemistry applications.

Application

4-Chloro-2-fluoro-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluoro and meta-chloro substituents provide enhanced metabolic stability and modulate electronic properties, while the carboxylic acid group facilitates direct coupling reactions. The molecule exhibits good bench stability and compatibility with standard functional group transformations, making it well-suited for iterative synthesis workflows.

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   37.3
  • LogP   2.48572
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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