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CS-W001157 4
Total: USD 88.00

4-(2,6-Dichlorophenyl)but-3-en-2-one

  • CAS No. 81559-89-9

  • Cat. No. CS-0132466
  • Purity≥98%
  • MDL No.None

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

4-(2,6-Dichlorophenyl)but-3-en-2-one|CS-0132466

Structure of 81559-89-9

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General Information

  • CAS No. 81559-89-9
  • Cat. No. CS-0132466
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈Cl₂O
  • Molecular Weight 215.08
  • Synonym(s) 1,2-Butanediol,4-(2,6-dichlorophenyl)
  • SMILES CC(/C=C/C1=C(Cl)C=CC=C1Cl)=O

Synthesis

  • Route1

    References

    • Dow AgroSciences LLC Patent: US6348627 B1, 2002 ; Location in patent: Page column 28 ;
  • Route2

    References

    • Bioorganic and Medicinal Chemistry, , vol. 20, # 2 p. 1029 - 1045
  • Route3

    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   17.07
  • LogP   3.5956
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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