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CS-W001157 4
Total: USD 88.00

1-(3-Nitrophenyl)piperazine

  • CAS No. 54054-85-2

  • Cat. No. CS-W019388
  • Molecule weight207.23
  • Purity≥95%
  • MDL No.MFCD03444407

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

1-(3-Nitrophenyl)piperazine|CS-W019388

Structure of 54054-85-2

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General Information

  • CAS No. 54054-85-2
  • Cat. No. CS-W019388
  • Purity ≥95%
  • MDL No. MFCD03444407
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃N₃O₂
  • Molecular Weight 207.23
  • Synonym(s) 1-(3-NITROPHENYL)-PIPERAZINE
  • SMILES O=[N+](C1=CC(N2CCNCC2)=CC=C1)[O-]

Synthesis

  • Route1

    References

    • INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) Patent: EP1683790 A1, 2006 ; Location in patent: Page/Page column 7; 12 ; EP 1683790 A1
  • Route2

    References

    • Sun, Aiming; Moore, Terry W.; Gunther, Jillian R.; Kim, Mi-Sun; Rhoden, Eric; Du, Yuhong; Fu, Haian; Snyder, James P.; Katzenellenbogen, John A. ChemMedChem, 2011 , vol. 6, # 4 p. 654 - 666
  • Route3

    References

    • Teuber, Lene; Watjen, Frank Patent: US2003/55055 A1, 2003 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H314
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   58.41
  • LogP   1.0044
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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