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CS-W001157 4
Total: USD 88.00

4-(Difluoromethyl)-3-fluorobenzoic acid

  • CAS No. 1780188-78-4

  • Cat. No. CS-0532082
  • Purity≥98%
  • MDL No.MFCD28522914

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

4-(Difluoromethyl)-3-fluorobenzoic acid|CS-0532082

Structure of 1780188-78-4

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General Information

  • CAS No. 1780188-78-4
  • Cat. No. CS-0532082
  • Purity ≥98%
  • MDL No. MFCD28522914
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) None
  • SMILES O=C(C1=CC=C(C(F)F)C(F)=C1)O

Description

4-(Difluoromethyl)-3-fluorobenzoic acid features a strategically positioned difluoromethyl group that enhances metabolic stability and lipophilicity, while the ortho-fluoro substituent modulates electronic properties. This combination delivers improved membrane permeability and target engagement potential in bioactive molecule design.

Application

4-(Difluoromethyl)-3-fluorobenzoic acid serves as a versatile building block for fluorinated aromatic systems, enabling the incorporation of both difluoromethyl and trifluoromethyl-like electronic effects. Its stability under standard reaction conditions facilitates direct derivatization into amides, esters, and heterocycles, supporting applications in medicinal chemistry and agrochemical scaffold development.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4615
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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