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CS-W001157 4
Total: USD 88.00

3-(Difluoromethyl)-4-fluoroaniline

  • CAS No. 445303-96-8

  • Cat. No. CS-0136291
  • Purity≥96%
  • MDL No.None

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

3-(Difluoromethyl)-4-fluoroaniline|CS-0136291

Structure of 445303-96-8

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General Information

  • CAS No. 445303-96-8
  • Cat. No. CS-0136291
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃N
  • Molecular Weight 161.12
  • Synonym(s) Benzenamine, 3-(difluoromethyl)-4-fluoro- (9CI)
  • SMILES NC1=CC=C(C(C(F)F)=C1)F

Description

3-(Difluoromethyl)-4-fluoroaniline features a strategically positioned difluoromethyl group that enhances metabolic stability and modulates electronic properties. This electron-deficient arylamine integrates readily into pharmaceutical scaffolds, offering improved bioavailability and resistance to oxidative degradation under standard bench conditions.

Application

3-(Difluoromethyl)-4-fluoroaniline serves as a valuable building block in medicinal chemistry, enabling the introduction of a difluoromethyl group adjacent to a fluorinated aromatic ring. Its stability under standard reaction conditions and compatibility with diverse coupling processes facilitate efficient synthesis of bioactive molecules. The molecule functions effectively in Suzuki-Miyaura and Buchwald-Hartwig couplings, offering a practical route to fluorinated heterocycles and pharmaceutical scaffolds.

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   26.02
  • LogP   2.3455
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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