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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one

  • CAS No. 39489-86-6

  • Cat. No. CS-0581338
  • Molecule weight210.70
  • Purity≥98%
  • MDL No.None

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

1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one|CS-0581338

Structure of 39489-86-6

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General Information

  • CAS No. 39489-86-6
  • Cat. No. CS-0581338
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅ClO
  • Molecular Weight 210.70
  • Synonym(s) 1-(4-CHLORO-PHENYL)-3,3-DIMETHYL-BUTAN-2-ONE
  • SMILES CC(C)(C)C(=O)CC1=CC=C(C=C1)Cl

Synthesis

  • Route1

    References

    • Culshaw, Andrew J.; Bevan, Stuart; Christiansen, Martin; Copp, Prafula; Davis, Andrew; Davis, Clare; Dyson, Alex; Dziadulewicz, Edward K.; Edwards, Lee; Eggelte, Hendrikus; Fox, Alyson; Gentry, Clive; Groarke, Alex; Hallett, Allan; Hart, Terance W.; Hughes, Glyn A.; Knights, Sally; Kotsonis, Peter; Lee, Wai; Lyothier, Isabelle; McBryde, Andrew; McIntyre, Peter; Paloumbis, George; Panesar, Moh; Patel, Sadhana; Seiler, Max-Peter; Yaqoob, Mohammed; Zimmermann, Kaspar Journal of Medicinal Chemistry, 2006 , vol. 49, # 2 p. 471 - 474
  • Route2
    • 1-((4-Chlorophenyl)thio)-3,3-dimethylbutan-2-one|CS-0272474
      39489-71-9
    • ~%
    • 1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one|CS-0581338
      39489-86-6

    References

    • Rivalle,C.; Bisagni,E. Bulletin de la Societe Chimique de France, 1972 , p. 2749 - 2755
  • Route3

    References

    • Rivalle,C.; Bisagni,E. Bulletin de la Societe Chimique de France, 1972 , p. 2749 - 2755

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.4977
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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