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CS-W001157 4
Total: USD 88.00

2-Fluoro-5-hydroxybenzenecarbonitrile

  • CAS No. 104798-53-0

  • Cat. No. CS-W006626
  • Purity≥97%
  • MDL No.MFCD11846514

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

2-Fluoro-5-hydroxybenzenecarbonitrile|CS-W006626

Structure of 104798-53-0

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General Information

  • CAS No. 104798-53-0
  • Cat. No. CS-W006626
  • Purity ≥97%
  • MDL No. MFCD11846514
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO
  • Molecular Weight 137.11
  • Synonym(s) benzonitrile, 2-fluoro-5-hydroxy-
  • SMILES N#CC1=CC(O)=CC=C1F

Description

2-Fluoro-5-hydroxybenzenecarbonitrile features a strategically positioned hydroxyl group flanked by fluorine and cyano substituents, enabling direct functionalization in synthetic sequences. This electron-deficient aromatic scaffold integrates readily into pharmaceutical intermediates and agrochemical building blocks under standard conditions.

Application

2-Fluoro-5-hydroxybenzenecarbonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl group and facilitating electrophilic substitution at the ortho-fluorine position. Its dual functionality supports diverse coupling reactions and acts as a key intermediate in the synthesis of heterocyclic scaffolds and bioactive molecules. The compound exhibits bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows.

Synthesis

  • Route1

    References

    • SoftCure Pharmaceuticals AB Patent: WO2008/152142 A1, 2008 ; Location in patent: Page/Page column 23 ;
  • Route2
    • null|null
      42539-98-0
    • ~88%
    • In-stock
      2-Fluoro-5-hydroxybenzenecarbonitrile|CS-W006626
      104798-53-0

    References

    • Shell Oil Company Patent: US4760160 A1, 1988 ;
  • Route3
    • null|null
      42539-98-0
    • null|null
      151-50-8
    • ~92%
    • In-stock
      2-Fluoro-5-hydroxybenzenecarbonitrile|CS-W006626
      104798-53-0

    References

    • Meurs, Jan H. H.; Sopher, David W.; Eilenberg, Wolf Angewandte Chemie, 1989 , vol. 101, # 7 p. 955 - 956

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H301+H311+H331-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   1.40298
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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