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CS-W001157 4
Total: USD 88.00

1-(3-Fluoro-4-nitrophenyl)ethan-1-one

  • CAS No. 72802-25-6

  • Cat. No. CS-0103300
  • Molecule weight183.14
  • Purity≥98%
  • MDL No.MFCD13194365

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

1-(3-Fluoro-4-nitrophenyl)ethan-1-one|CS-0103300

Structure of 72802-25-6

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General Information

  • CAS No. 72802-25-6
  • Cat. No. CS-0103300
  • Purity ≥98%
  • MDL No. MFCD13194365
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₃
  • Molecular Weight 183.14
  • Synonym(s) 1-(3-Fluoro-4-nitrophenyl)ethanone
  • SMILES CC(C1=CC=C(C(F)=C1)[N+]([O-])=O)=O

Description

1-(3-Fluoro-4-nitrophenyl)ethan-1-one features a fluorinated aromatic ring paired with a nitro group in the para position relative to the ketone, creating a strongly electron-deficient aryl moiety. This structure enables efficient coupling in cross-coupling reactions and serves as a key building block for functionalized biaryls. The compound exhibits bench-stable handling characteristics and compatibility with standard synthetic protocols.

Application

1-(3-Fluoro-4-nitrophenyl)ethan-1-one serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of functionalized aryl ketones and heterocyclic scaffolds. Its reactivity is well-documented in nucleophilic addition and coupling processes, with the ortho-fluoro and para-nitro groups providing orthogonal handles for selective transformations. The compound exhibits good bench stability and facilitates straightforward purification, making it suitable for use in medicinal chemistry campaigns and process development workflows.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   1.9365
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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