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CS-W001157 4
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4-Chloro-1-(2-methoxyphenyl)butan-1-one

  • CAS No. 40877-17-6

  • Cat. No. CS-0550633
  • Molecule weight212.67
  • Purity≥98%
  • MDL No.None

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

4-Chloro-1-(2-methoxyphenyl)butan-1-one|CS-0550633

Structure of 40877-17-6

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General Information

  • CAS No. 40877-17-6
  • Cat. No. CS-0550633
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClO₂
  • Molecular Weight 212.67
  • Synonym(s) 4-Chloro-1-(2-methoxyphenyl)-1-oxobutane
  • SMILES O=C(C1=CC=CC=C1OC)CCCCl

Synthesis

  • Route1
    • null|null
      109-70-6
    • null|null
      82128-71-0
    • ~44%
    • 4-Chloro-1-(2-methoxyphenyl)butan-1-one|CS-0550633
      40877-17-6

    References

    • Perrone, Roberto; Berardi, Francesco; Colabufo, Nicola A.; Lacivita, Enza; Leopoldo, Marcello; Tortorella, Vincenzo Journal of Medicinal Chemistry, 2003 , vol. 46, # 4 p. 646 - 649
  • Route2

    References

    • Bayer Corporation Patent: EP904260 B1, 2002 ;
  • Route3
    • 2-Methoxybenzaldehyde, ≥97%|CS-1269021
      135-02-4
    • ~%
    • 4-Chloro-1-(2-methoxyphenyl)butan-1-one|CS-0550633
      40877-17-6

    References

    • Perrone, Roberto; Berardi, Francesco; Colabufo, Nicola A.; Lacivita, Enza; Leopoldo, Marcello; Tortorella, Vincenzo Journal of Medicinal Chemistry, 2003 , vol. 46, # 4 p. 646 - 649

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8969
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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