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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)pentane-1,4-dione

  • CAS No. 53842-12-9

  • Cat. No. CS-0331834
  • Molecule weight210.66
  • Purity95+%
  • MDL No.None

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

1-(4-Chlorophenyl)pentane-1,4-dione|CS-0331834

Structure of 53842-12-9

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General Information

  • CAS No. 53842-12-9
  • Cat. No. CS-0331834
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁ClO₂
  • Molecular Weight 210.66
  • Synonym(s) None
  • SMILES CC(=O)CCC(=O)C1=CC=C(C=C1)Cl

Synthesis

  • Route1
    • null|null
      1490-24-0
    • null|null
      108-90-7
    • ~25%
    • 1-(4-Chlorophenyl)pentane-1,4-dione|CS-0331834
      53842-12-9

    References

    • LUPIN LTD Patent: US2005/256128 A1, 2005 ; Location in patent: Page/Page column 11 ;
  • Route2

    References

    • Ravelli, Davide; Zema, Michele; Mella, Mariella; Fagnoni, Maurizio; Albini, Angelo Organic and Biomolecular Chemistry, 2010 , vol. 8, # 18 p. 4158 - 4164
  • Route3
    • null|null
      201230-82-2
    • In-stock
      (4-Chlorophenyl)boronic acid|CS-D1133
      1679-18-1
    • null|null
      78-94-4
    • ~68%
    • 1-(4-Chlorophenyl)pentane-1,4-dione|CS-0331834
      53842-12-9

    References

    • Chochois, Helene; Sauthier, Mathieu; Maerten, Eddy; Castanet, Yves; Mortreux, Andre Tetrahedron, 2006 , vol. 62, # 50 p. 11740 - 11746

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.8919
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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