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CS-W001157 4
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4,5-Difluoro-2-methoxybenzaldehyde

  • CAS No. 145742-34-3

  • Cat. No. CS-0186911
  • Molecule weight172.13
  • Purity≥95%
  • MDL No.None

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

4,5-Difluoro-2-methoxybenzaldehyde|CS-0186911

Structure of 145742-34-3

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General Information

  • CAS No. 145742-34-3
  • Cat. No. CS-0186911
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) 2-Methoxy-4,5-difluorobenzaldehyde
  • SMILES COC1=CC(=C(C=C1C=O)F)F

Description

4,5-Difluoro-2-methoxybenzaldehyde features a fluorinated aromatic core with complementary electron-withdrawing and donor substituents. The para-fluorine pairs with the ortho-methoxy group to modulate reactivity, while the aldehyde functionality enables direct incorporation into coupling reactions. This bench-stable compound serves as a key intermediate in bioactive molecule synthesis.

Application

4,5-Difluoro-2-methoxybenzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced metabolic stability through fluorine substitution. Its aldehyde functionality enables direct use in reductive amination, Grignard additions, and Ullmann-type coupling reactions. The ortho-methoxy group provides steric and electronic modulation, while the difluoro substitution pattern enhances lipophilicity and membrane permeability—key attributes for bioactive molecule development. Bench-stable and readily purified by flash chromatography, it functions reliably in multi-step synthetic sequences requiring functional group tolerance and predictable reactivity.

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   26.3
  • LogP   1.7859
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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