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4,6-Dichloro-2,3-dihydro-1H-inden-1-one

  • CAS No. 52397-81-6

  • Cat. No. CS-0042853
  • Purity≥98%
  • MDL No.MFCD08276785

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

4,6-Dichloro-2,3-dihydro-1H-inden-1-one|CS-0042853

Structure of 52397-81-6

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General Information

  • CAS No. 52397-81-6
  • Cat. No. CS-0042853
  • Purity ≥98%
  • MDL No. MFCD08276785
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆Cl₂O
  • Molecular Weight 201.05
  • Synonym(s) 4,6-Dichloro-1-indanone
  • SMILES ClC1=CC(Cl)=C2CCC(=O)C2=C1

Synthesis

  • Route1

    References

    • SmithKline Beecham plc Patent: US6320051 B1, 2001 ;
  • Route2

    References

    • Musso, David L.; Orr, G. Faye; Cochran, Felicia R.; Kelley, James L.; Selph, Jeffrey L.; Rigdon, Greg C.; Cooper, Barrett R.; Jones, Michael L. Journal of Medicinal Chemistry, 2003 , vol. 46, # 3 p. 409 - 416
  • Route3
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      52397-82-7
    • ~%
    • In-stock
      4,6-Dichloro-2,3-dihydro-1H-inden-1-one|CS-0042853
      52397-81-6

    References

    • Musso, David L.; Orr, G. Faye; Cochran, Felicia R.; Kelley, James L.; Selph, Jeffrey L.; Rigdon, Greg C.; Cooper, Barrett R.; Jones, Michael L. Journal of Medicinal Chemistry, 2003 , vol. 46, # 3 p. 409 - 416

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-H319
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P330-P337+P313-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.1223
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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