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CS-W001157 4
Total: USD 88.00

4-(4-Chlorophenyl)but-3-yn-2-one

  • CAS No. 39180-26-2

  • Cat. No. CS-0530793
  • Molecule weight178.61
  • Purity≥98%
  • MDL No.MFCD24689111

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

4-(4-Chlorophenyl)but-3-yn-2-one|CS-0530793

Structure of 39180-26-2

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General Information

  • CAS No. 39180-26-2
  • Cat. No. CS-0530793
  • Purity ≥98%
  • MDL No. MFCD24689111
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClO
  • Molecular Weight 178.61
  • Synonym(s) None
  • SMILES CC(C#CC1=CC=C(Cl)C=C1)=O

Synthesis

  • Route1

    References

    • Schubert, Thomas; Hummel, Werner; Kula, Maria-Regina; Mueller, Michael European Journal of Organic Chemistry, 2001 , # 22 p. 4181 - 4187
  • Route2
    • 4-(4-Chlorophenyl)but-3-yn-2-ol|CS-0530806
      153395-93-8
    • ~86%
    • 4-(4-Chlorophenyl)but-3-yn-2-one|CS-0530793
      39180-26-2

    References

    • Liu, Jinxian; Xie, Xi; Ma, Shengming Synthesis, 2012 , vol. 44, # 10 p. 1569 - 1576
  • Route3

    References

    • Tavares, Francis X.; Boucheron, Joyce A.; Dickerson, Scott H.; Griffin, Robert J.; Preugschat, Frank; Thomso, Stephen A.; Wang, Tony Y.; Zhouf, Hui-Qiang Journal of Medicinal Chemistry, 2004 , vol. 47, # 19 p. 4716 - 4730

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.2805
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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