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CS-W001157 4
Total: USD 88.00

3-Bromo-4-(difluoromethyl)benzoic acid

  • CAS No. 1131615-04-7

  • Cat. No. CS-0130939
  • Molecule weight251.02
  • Purity≥96%
  • MDL No.MFCD11110865

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

3-Bromo-4-(difluoromethyl)benzoic acid|CS-0130939

Structure of 1131615-04-7

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General Information

  • CAS No. 1131615-04-7
  • Cat. No. CS-0130939
  • Purity ≥96%
  • MDL No. MFCD11110865
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrF₂O₂
  • Molecular Weight 251.02
  • Synonym(s) 4-[bis(fluoranyl)methyl]-3-bromanyl-benzoic acid
  • SMILES O=C(O)C1=CC=C(C(F)F)C(Br)=C1

Description

3-Bromo-4-(difluoromethyl)benzoic acid features a strategically positioned difluoromethyl group that enhances metabolic stability and modulates electronic properties. The bromo substituent enables facile downstream functionalization via cross-coupling reactions. This aryl halide integrates efficiently into pharmaceutical scaffolds, offering improved lipophilicity and bioavailability profiles under standard conditions.

Application

3-Bromo-4-(difluoromethyl)benzoic acid serves as a versatile building block for medicinal chemistry and materials synthesis, enabling direct incorporation of both bromine and difluoromethyl functionalities into target molecules. The carboxylic acid group facilitates derivatization via standard amide, ester, or acyl halide transformations, while the ortho-bromine supports palladium-catalyzed cross-coupling reactions. Its bench-stable crystalline form ensures reliable handling and purification in multi-step synthetic sequences.

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-H320-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.0849
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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