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CS-W001157 4
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4-Bromo-2-fluoro-5-methoxybenzaldehyde

  • CAS No. 749931-20-2

  • Cat. No. CS-0089647
  • Purity≥97%
  • MDL No.None

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

4-Bromo-2-fluoro-5-methoxybenzaldehyde|CS-0089647

Structure of 749931-20-2

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General Information

  • CAS No. 749931-20-2
  • Cat. No. CS-0089647
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.03
  • Synonym(s) 4-broMo-2-fluoro-5-Methoxy-benzaldehyde
  • SMILES O=CC1=CC(OC)=C(Br)C=C1F

Description

4-Bromo-2-fluoro-5-methoxybenzaldehyde features a trifunctional aromatic core enabling direct incorporation into Suzuki-Miyaura and Ullmann coupling cascades. The electron-deficient aldehyde group pairs with ortho-fluorine for selective cross-coupling, while the methoxy substituent enhances solubility and modulates reactivity under standard conditions.

Application

4-Bromo-2-fluoro-5-methoxybenzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of substituted heterocycles via standard coupling reactions. Its ortho-fluoro and para-bromo substituents facilitate palladium-catalyzed cross-couplings, while the methoxy and aldehyde groups offer orthogonal functionalization potential. The compound exhibits good bench stability and is amenable to purification by crystallization or flash chromatography, supporting efficient integration into 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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.4093
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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