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1-(3,4-Dichlorophenyl)pentan-1-one

  • CAS No. 68120-72-9

  • Cat. No. CS-0152396
  • Molecule weight231.12
  • Purity95+%
  • MDL No.MFCD08445511

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

1-(3,4-Dichlorophenyl)pentan-1-one|CS-0152396

Structure of 68120-72-9

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General Information

  • CAS No. 68120-72-9
  • Cat. No. CS-0152396
  • Purity 95+%
  • MDL No. MFCD08445511
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂Cl₂O
  • Molecular Weight 231.12
  • Synonym(s) 1-(3,4-DICHLORO-PHENYL)-PENTAN-1-ONE
  • SMILES CCCCC(=O)C1=CC(=C(C=C1)Cl)Cl

Synthesis

  • Route1

    References

    • RESEARCH TRIANGLE INSTITUTE; CARROLL, Frank Ivy; BLOUGH, Bruce; ABRAHAM, Philip Patent: WO2010/121022 A1, 2010 ; Location in patent: Page/Page column 61-62 ; WO 2010/121022 A1
  • Route2

    References

    • Carroll, F. Ivy; Blough, Bruce E.; Abraham, Philip; Mills, Andrew C.; Holleman, J. Ashley; Wolckenhauer, Scott A.; Decker, Ann M.; Landavazo, Antonio; McElroy, K. Timothy; Navarro, Hernan A.; Gatch, Michael B.; Forster, Michael J. Journal of Medicinal Chemistry, 2009 , vol. 52, # 21 p. 6768 - 6781
  • Route3
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      638-29-9
    • null|null
      95-50-1
    • ~%
    • 1-(3,4-Dichlorophenyl)pentan-1-one|CS-0152396
      68120-72-9

    References

    • F. HOFFMANN-LA ROCHE AG; HOFFMANN-LA ROCHE INC.; ADAM, Jean-Michel; DVORAK, Charles Alois; FISHLOCK, Daniel; HUMPHREYS, Eric R.; IDING, Hans; PFLEGER, Christophe; REGE, Pankaj D.; SHI, Xianqing; VITALE, Justin; WANG, Shaoning; ZAJAC, Marian Patent: WO2013/160273 A1, 2013 ; Location in patent: Page/Page column 68; 69 ;

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   4.3663
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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