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CS-W001157 4
Total: USD 88.00

2-Nitro-4-(propylthio)aniline

  • CAS No. 54393-89-4

  • Cat. No. CS-0365289
  • Molecule weight212.27
  • Purity≥98%
  • MDL No.None

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

2-Nitro-4-(propylthio)aniline|CS-0365289

Structure of 54393-89-4

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General Information

  • CAS No. 54393-89-4
  • Cat. No. CS-0365289
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₂S
  • Molecular Weight 212.27
  • Synonym(s) ALBENDAZOLE IMPURITY 3 (2-NITRO-4-(PROPYLTHIO)-ANILINE)
  • SMILES CCCSC1=CC(=C(C=C1)N)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      71-23-8
    • In-stock
      2-Nitro-4-thiocyanatoaniline|CS-W015724
      54029-45-7
    • null|null
      106-94-5
    • ~93%
    • 2-Nitro-4-(propylthio)aniline|CS-0365289
      54393-89-4

    References

    • SEQUENT SCIENTIFIC LIMITED; Rane, Ramkrishna Appaji; Naithani, Sushil; Natikar, Rajendra Devendra; Verma, Sudhakar; Arulmoli, Thangavel Patent: US2013/303782 A1, 2013 ; Location in patent: Paragraph 0022 ;
  • Route2

    References

    • E. R. Squibb and Sons, Inc. Patent: US4076825 A1, 1978 ;
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    References

    • Hernandez-Luis, Francisco; Castillo, Rafael; Yepez-Mulia, Lilian; Cedillo-Rivera, Roberto; Martinez-Vazquez, Gabriel; Morales-Hurtado, Raul; Jung, Helgi; Sanchez, Monica; Hernandez-Campos, Alicia; Viveros, Noemi; Munoz, Onofre Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 18 p. 2231 - 2236

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

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.6791
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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