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CS-W001157 4
Total: USD 88.00

1-[2-(Trifluoromethyl)benzoyl]piperazine

  • CAS No. 179534-78-2

  • Cat. No. CS-0124471
  • Purity≥98%
  • MDL No.MFCD08442668

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

1-[2-(Trifluoromethyl)benzoyl]piperazine|CS-0124471

Structure of 179534-78-2

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General Information

  • CAS No. 179534-78-2
  • Cat. No. CS-0124471
  • Purity ≥98%
  • MDL No. MFCD08442668
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃F₃N₂O
  • Molecular Weight 258.24
  • Synonym(s) None
  • SMILES O=C(N1CCNCC1)C2=CC=CC=C2C(F)(F)F

Synthesis

  • Route1
    • null|null
      840491-84-1
    • ~92%
    • 1-[2-(Trifluoromethyl)benzoyl]piperazine|CS-0124471
      179534-78-2

    References

    • Li, Chun Sing; Belair, Liette; Guay, Jocelyne; Murgasva, Renata; Sturkenboom, Wayne; Ramtohul, Yeeman K.; Zhang, Lei; Huang, Zheng Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 17 p. 5214 - 5217
  • Route2
    • null|null
      948670-83-5
    • ~85%
    • 1-[2-(Trifluoromethyl)benzoyl]piperazine|CS-0124471
      179534-78-2

    References

    • FOREST LABORATORIES HOLDINGS LIMITED Patent: US2009/239848 A1, 2009 ; Location in patent: Page/Page column 12; 13 ; US 20090239848 A1
  • Route3
    • null|null
      312-94-7
    • ~55%
    • 1-[2-(Trifluoromethyl)benzoyl]piperazine|CS-0124471
      179534-78-2

    References

    • Molecular Geriatrics Corporation Patent: US6214994 B1, 2001 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   1.7508
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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