Cas no 319455-11-3 (Benzaldehyde,3-acetyl-4-fluoro-)

Benzaldehyde,3-acetyl-4-fluoro- is a fluorinated aromatic compound featuring both aldehyde and acetyl functional groups. Its molecular structure, incorporating a fluorine atom at the 4-position and an acetyl group at the 3-position, enhances its reactivity and utility in fine chemical synthesis. This compound serves as a valuable intermediate in pharmaceutical and agrochemical applications, where its electron-withdrawing substituents facilitate selective transformations. The presence of fluorine improves metabolic stability and bioavailability in derived compounds. Its well-defined reactivity profile makes it suitable for use in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic synthesis. The compound is typically handled under controlled conditions due to its sensitivity to air and moisture.
Benzaldehyde,3-acetyl-4-fluoro- structure
319455-11-3 structure
Product Name:Benzaldehyde,3-acetyl-4-fluoro-
CAS No:319455-11-3
MF:C9H7FO2
MW:166.149086236954
CID:301257
PubChem ID:18668944
Update Time:2025-06-07

Benzaldehyde,3-acetyl-4-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,3-acetyl-4-fluoro-
    • 3-Acetyl-4-fluorobenzaldehyde
    • 319455-11-3
    • DTXSID10595417
    • SCHEMBL6928478
    • Inchi: 1S/C9H7FO2/c1-6(12)8-4-7(5-11)2-3-9(8)10/h2-5H,1H3
    • InChI Key: RIAZJKYKUNOTNA-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C=O)C=C1C(C)=O

Computed Properties

  • Exact Mass: 166.04301
  • Monoisotopic Mass: 166.04300762g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

Benzaldehyde,3-acetyl-4-fluoro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB609344-250mg
3-Acetyl-4-fluorobenzaldehyde; .
319455-11-3
250mg
€396.40 2024-07-19
abcr
AB609344-500mg
3-Acetyl-4-fluorobenzaldehyde; .
319455-11-3
500mg
€543.90 2024-07-19
abcr
AB609344-1g
3-Acetyl-4-fluorobenzaldehyde; .
319455-11-3
1g
€739.30 2024-07-19
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