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4-Chloro-1-phenylbutan-1-one

  • CAS No. 939-52-6

  • Cat. No. CS-0063826
  • Molecule weight182.65
  • Purity≥95%
  • MDL No.MFCD00001005

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

4-Chloro-1-phenylbutan-1-one|CS-0063826

Structure of 939-52-6

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General Information

  • CAS No. 939-52-6
  • Cat. No. CS-0063826
  • Purity ≥95%
  • MDL No. MFCD00001005
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO
  • Molecular Weight 182.65
  • Synonym(s) 4-Chlorobutyrophenone
  • SMILES O=C(C1=CC=CC=C1)CCCCl

Description

4-Chloro-1-phenylbutan-1-one is a chlorinated ketone featuring a phenyl group conjugated to a carbonyl-bearing alkyl chain. This structure delivers enhanced electrophilicity at the carbonyl center, enabling efficient nucleophilic addition and C–C bond formation. The molecule exhibits good stability under standard conditions and integrates readily into synthetic sequences requiring activated acyl components.

Synthesis

  • Route1
    • null|null
      4635-59-0
    • null|null
      71-43-2
    • ~91%
    • In-stock
      4-Chloro-1-phenylbutan-1-one|CS-0063826
      939-52-6

    References

    • Husar, Branislav; Lukac, Ivan; Chmela, Stefan; Canet, Jean-Louis; Troin, Yves Chemical Papers, 2010 , vol. 64, # 4 p. 499 - 503
  • Route2
    • null|null
      603-33-8
    • null|null
      4635-59-0
    • ~91%
    • In-stock
      4-Chloro-1-phenylbutan-1-one|CS-0063826
      939-52-6

    References

    • Rao, Maddali L.N.; Venkatesh, Varadhachari; Banerjee, Debasis Tetrahedron, 2007 , vol. 63, # 52 p. 12917 - 12926
  • Route3

    References

    • Zhao, Baowei; Lu, Xiyan Organic Letters, 2006 , vol. 8, # 26 p. 5987 - 5990

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.8883
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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