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CS-W001157 4
Total: USD 88.00

5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione

  • CAS No. 55579-74-3

  • Cat. No. CS-0453586
  • Purity≥98%
  • MDL No.None

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

5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione|CS-0453586

Structure of 55579-74-3

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General Information

  • CAS No. 55579-74-3
  • Cat. No. CS-0453586
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀Cl₂O₂
  • Molecular Weight 257.11
  • Synonym(s) 5-(2,6-dichloro-phenyl)-cyclohexane-1,3-dione
  • SMILES C1=CC(=C(C2CC(=O)CC(=O)C2)C(=C1)Cl)Cl

Synthesis

  • Route1
    • 4-(2,6-Dichlorophenyl)but-3-en-2-one|CS-0132466
      81559-89-9
    • null|null
      105-53-3
    • ~%
    • 5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione|CS-0453586
      55579-74-3

    References

    • Zhang, Wei; Benmohamed, Radhia; Arvanites, Anthony C.; Morimoto, Richard I.; Ferrante, Robert J.; Kirsch, Donald R.; Silverman, Richard B. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 2 p. 1029 - 1045
  • Route2

    References

    • Kesten, Stephen J.; Degnan, Margaret J.; Hung, Jocelyn; McNamara, Dennis J.; Ortwine, Daniel F.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 19 p. 3429 - 3447
  • Route3
    • 4-(2,6-Dichlorophenyl)but-3-en-2-one|CS-0132466
      81559-89-9
    • ~%
    • 5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione|CS-0453586
      55579-74-3

    References

    • Kesten, Stephen J.; Degnan, Margaret J.; Hung, Jocelyn; McNamara, Dennis J.; Ortwine, Daniel F.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 19 p. 3429 - 3447

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.3991
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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