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CS-W001157 4
Total: USD 88.00

2-Fluoro-4-formylbenzoic acid

  • CAS No. 604000-97-7

  • Cat. No. CS-0157114
  • Purity≥98%
  • MDL No.MFCD12026481

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

2-Fluoro-4-formylbenzoic acid|CS-0157114

Structure of 604000-97-7

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General Information

  • CAS No. 604000-97-7
  • Cat. No. CS-0157114
  • Purity ≥98%
  • MDL No. MFCD12026481
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FO₃
  • Molecular Weight 168.12
  • Synonym(s) 4-Carboxy-3-fluorobenzaldehyde
  • SMILES C1=CC(=C(C=C1C=O)F)C(=O)O

Description

2-Fluoro-4-formylbenzoic acid features a strategically positioned formyl group adjacent to a carboxylic acid, enabling direct conjugation or derivatization. The ortho-fluorine enhances electrophilicity at the carbonyl carbon while maintaining stability under standard conditions. This dual-functional motif facilitates efficient coupling in synthetic routes targeting bioactive molecules and functional materials.

Synthesis

  • Route1
    • 4-Cyano-2-fluorobenzoic acid Olaparib Impurity|CS-0214041
      164149-28-4
    • ~78%
    • In-stock
      2-Fluoro-4-formylbenzoic acid|CS-0157114
      604000-97-7

    References

    • THERAVANCE, INC. Patent: US2006/205775 A1, 2006 ; Location in patent: Page/Page column 24 ; US 20060205775 A1
  • Route2
    • 4-(Bromomethyl)-2-fluorobenzoic acid|CS-0665857
      477199-77-2
    • ~%
    • In-stock
      2-Fluoro-4-formylbenzoic acid|CS-0157114
      604000-97-7

    References

    • INCYTE CORPORATION; RODGERS, James, D.; LI, Yun-Long; SHEPARD, Stacey; WANG, Haisheng Patent: WO2011/28685 A1, 2011 ; Location in patent: Page/Page column 74; 75 ; WO 2011/028685 A1
  • Route3
    • null|null
      950691-70-0
    • null|null
      124-38-9
    • ~%
    • In-stock
      2-Fluoro-4-formylbenzoic acid|CS-0157114
      604000-97-7

    References

    • Amgen Inc.; EPIX Pharmaceuticals, Inc. Patent: US2009/82331 A1, 2009 ; Location in patent: Page/Page column 18 ; US 20090082331 A1

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.3364
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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