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CS-W001157 4
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4-(Difluoromethoxy)-2-fluoroaniline

  • CAS No. 1003865-65-3

  • Cat. No. CS-0133299
  • Purity≥97%
  • MDL No.MFCD14698443

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

4-(Difluoromethoxy)-2-fluoroaniline|CS-0133299

Structure of 1003865-65-3

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General Information

  • CAS No. 1003865-65-3
  • Cat. No. CS-0133299
  • Purity ≥97%
  • MDL No. MFCD14698443
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃NO
  • Molecular Weight 177.12
  • Synonym(s) 4-(DIFLUOROMETHOXY)-2-FLUOROANILINE(WXFC0706)
  • SMILES NC1=CC=C(OC(F)F)C=C1F

Description

4-(Difluoromethoxy)-2-fluoroaniline features a strategically positioned difluoromethoxy group and ortho-fluoro substituent, enhancing electron deficiency and metabolic stability. This combination enables direct incorporation into bioactive scaffolds, particularly in agrochemicals and pharmaceutical intermediates, where improved membrane permeability and resistance to oxidative degradation are critical.

Application

4-(Difluoromethoxy)-2-fluoroaniline serves as a valuable fluorinated aromatic building block for medicinal chemistry and agrochemical synthesis. Its ortho-fluoro and difluoromethoxy substituents enable enhanced metabolic stability and modulated lipophilicity. The compound exhibits bench stability, tolerates a range of functional groups, and participates reliably in Suzuki-Miyaura, Buchwald-Hartwig, and other standard coupling reactions, facilitating efficient construction of complex heterocyclic scaffolds and API intermediates.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   2.0093
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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