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CS-W001157 4
Total: USD 88.00

2-Fluoro-6-formylbenzonitrile

  • CAS No. 1261823-28-2

  • Cat. No. CS-0343414
  • Purity≥98%
  • MDL No.MFCD18394004

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

2-Fluoro-6-formylbenzonitrile|CS-0343414

Structure of 1261823-28-2

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General Information

  • CAS No. 1261823-28-2
  • Cat. No. CS-0343414
  • Purity ≥98%
  • MDL No. MFCD18394004
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO
  • Molecular Weight 149.12
  • Synonym(s) None
  • SMILES N#CC1=C(C=O)C=CC=C1F

Description

2-Fluoro-6-formylbenzonitrile features a strategically positioned formyl group flanked by fluorine and cyano substituents, enabling direct integration into heterocyclic scaffolds. This electron-deficient aromatic core facilitates nucleophilic addition and transition-metal-catalyzed coupling reactions under standard conditions.

Application

2-Fluoro-6-formylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles via cyclization or nucleophilic addition reactions. Its ortho-fluoro and formyl groups facilitate directed metalation and selective functionalization, while the nitrile group offers compatibility with standard transformations. Bench-stable and readily purified by column chromatography, it functions efficiently in multistep syntheses requiring precise regiocontrol.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.50988
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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