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5-Chloro-7-fluoro-2,3-dihydro-1H-inden-1-one

  • CAS No. 1273613-81-2

  • Cat. No. CS-0042993
  • Molecule weight184.59
  • Purity≥98%
  • MDL No.None

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

5-Chloro-7-fluoro-2,3-dihydro-1H-inden-1-one|CS-0042993

Structure of 1273613-81-2

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General Information

  • CAS No. 1273613-81-2
  • Cat. No. CS-0042993
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClFO
  • Molecular Weight 184.59
  • Synonym(s) 7-CHLORO-5-FLUORO-1-INDANONE
  • SMILES O=C1CCC2=C1C(F)=CC(Cl)=C2

Description

5-Chloro-7-fluoro-2,3-dihydro-1H-inden-1-one features a rigid, electron-deficient indenone core with strategically positioned halogens enhancing reactivity in cross-coupling and functionalization workflows. This bench-stable ketone integrates readily into complex molecular architectures under standard conditions.

Application

5-Chloro-7-fluoro-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated indane scaffolds. Its electron-deficient aromatic core and orthogonal halogen handles facilitate palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The compound exhibits bench stability, moderate solubility in common organic solvents, and compatibility with standard protecting group strategies, making it suitable for iterative synthesis campaigns targeting bioactive molecules.

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-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   17.07
  • LogP   2.608
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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