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1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethan-1-one

  • CAS No. 58158-45-5

  • Cat. No. CS-0326934
  • Molecule weight231.68
  • Purity≥97%
  • MDL No.None

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

1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethan-1-one|CS-0326934

Structure of 58158-45-5

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General Information

  • CAS No. 58158-45-5
  • Cat. No. CS-0326934
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀ClNO
  • Molecular Weight 231.68
  • Synonym(s) 1-(4-Chloro-phenyl)-2-pyridin-4-YL-ethanone
  • SMILES C1=C(C=CC(=C1)Cl)C(=O)CC2=CC=NC=C2

Synthesis

  • Route1

    References

    • Mikkilineni, Amarendra B.; Murugesan, Natesan; Yu, Guixue Patent: US2006/287342 A1, 2006 ; Location in patent: Page/Page column 12 ; US 20060287342 A1
  • Route2

    References

    • Schering Corporation Patent: US2007/10513 A1, 2007 ; Location in patent: Page/Page column 42 ; US 20070010513 A1
  • Route3
    • null|null
      21384-46-3
    • null|null
      108-89-4
    • ~54%
    • 1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethan-1-one|CS-0326934
      58158-45-5

    References

    • Miwatashi, Seiji; Arikawa, Yasuyoshi; Naruo, Ken-Ichi; Igaki, Keiko; Watanabe, Yasumasa; Kimura, Hiroyuki; Kawamoto, Tomohiro; Ohkawa, Shigenori Chemical and Pharmaceutical Bulletin, 2005 , vol. 53, # 4 p. 410 - 418

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   3.1604
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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