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CS-W001157 4
Total: USD 88.00

3-Fluorobenzaldehyde

  • CAS No. 456-48-4

  • Cat. No. CS-W013534
  • Purity≥96%
  • MDL No.MFCD00003348

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

3-Fluorobenzaldehyde|CS-W013534

Structure of 456-48-4

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General Information

  • CAS No. 456-48-4
  • Cat. No. CS-W013534
  • Purity ≥96%
  • MDL No. MFCD00003348
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅FO
  • Molecular Weight 124.11
  • Synonym(s) Fluorobenzaldehyde2; 3-Fluorobenzaldehyde
  • SMILES O=CC1=CC=CC(F)=C1

Description

3-Fluorobenzaldehyde features a fluorinated aromatic ring paired with an aldehyde functional group, enabling direct incorporation into heterocyclic and cross-coupling reactions. This bench-stable compound offers enhanced electrophilicity at the carbonyl site due to the electron-withdrawing fluorine substituent, facilitating efficient derivatization in medicinal chemistry and materials synthesis.

Application

3-Fluorobenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of fluorinated aromatic scaffolds. Its aldehyde functionality facilitates nucleophilic additions, reductive aminations, and coupling reactions, while the ortho-fluoro substituent provides enhanced metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and compatibility with diverse functional groups, making it well-suited for medicinal chemistry campaigns and process-scale synthesis.

Synthesis

  • Route1

    References

    • Krohn, Karsten; Khanbabaee, Karamali; Rieger, Hagen Chemische Berichte, 1990 , vol. 123, # 6 p. 1357 - 1364
  • Route2
    • null|null
      352-70-5
    • ~47%
    • In-stock
      3-Fluorobenzaldehyde|CS-W013534
      456-48-4

    References

    • Kayan, Berkant; Oezen, Recep; Gizir, Ahmet M.; Kus, N. Simsek Organic Preparations and Procedures International, 2005 , vol. 37, # 1 p. 83 - 86
  • Route3
    • In-stock
      3-Bromofluorobenzene|CS-0015728
      1073-06-9
    • null|null
      201230-82-2
    • ~91%
    • In-stock
      3-Fluorobenzaldehyde|CS-W013534
      456-48-4

    References

    • Klaus, Stefan; Neumann, Helfried; Zapf, Alexander; Struebing, Dirk; Huebner, Sandra; Almena, Juan; Riermeier, Thomas; Gross, Peter; Sarich, Martin; Krahnert, Wolf-Ruediger; Rossen, Kai; Beller, Matthias Angewandte Chemie - International Edition, 2006 , vol. 45, # 1 p. 154 - 158

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1989
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.6382
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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