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CS-W001157 4
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2-(Benzylthio)-3-nitropyridine

  • CAS No. 69212-31-3

  • Cat. No. CS-0199461
  • Purity≥98%
  • MDL No.None

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

2-(Benzylthio)-3-nitropyridine|CS-0199461

Structure of 69212-31-3

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General Information

  • CAS No. 69212-31-3
  • Cat. No. CS-0199461
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O₂S
  • Molecular Weight 246.29
  • Synonym(s) 2-(benzylsulfanyl)-3-nitropyridine
  • SMILES C1=CC=C(C=C1)CSC2=C(C=CC=N2)[N+](=O)[O-]

Description

2-(Benzylthio)-3-nitropyridine features a benzylthio group appended to the pyridine ring, delivering enhanced solubility and stability. The para-nitro substitution imparts electron-deficient character, enabling effective participation in cross-coupling and nucleophilic substitution reactions. This compound serves as a valuable scaffold for medicinal chemistry and materials synthesis.

Synthesis

  • Route1
    • In-stock
      2-Chloro-3-nitropyridine|CS-W007590
      5470-18-8
    • null|null
      100-53-8
    • ~10%
    • In-stock
      2-(Benzylthio)-3-nitropyridine|CS-0199461
      69212-31-3

    References

    • Ueki; Honda; Kazama; Katoh Synthesis, 1994 , # 1 p. 21 - 22
  • Route2

    References

    • Chemistry - An Asian Journal, , vol. 7, # 1 p. 45 - 49

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

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Computational Chemistry Data

  • TPSA   56.03
  • LogP   3.2821
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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