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CS-W001157 4
Total: USD 88.00

(4-Fluorophenyl)(4-nitrophenyl)sulfane

  • CAS No. 2438-85-9

  • Cat. No. CS-0333499
  • Molecule weight249.26
  • Purity95+%
  • MDL No.None

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

(4-Fluorophenyl)(4-nitrophenyl)sulfane|CS-0333499

Structure of 2438-85-9

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General Information

  • CAS No. 2438-85-9
  • Cat. No. CS-0333499
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈FNO₂S
  • Molecular Weight 249.26
  • Synonym(s) 1-Fluoro-4-[(4-nitrophenyl)sulfanyl]benzene
  • SMILES C1=C(C=CC(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])F

Synthesis

  • Route1

    References

    • PHARMACIA and UPJOHN COMPANY Patent: WO2004/96809 A1, 2004 ; Location in patent: Page 16 ; WO 2004/096809 A1
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 17, # 1 p. 142 - 144
  • Route3
    • Potassium 4-fluorobenzenethiolate|CS-0871614
      132130-83-7
    • null|null
      100-00-5
    • ~%
    • (4-Fluorophenyl)(4-nitrophenyl)sulfane|CS-0333499
      2438-85-9

    References

    • Magnetic Resonance in Chemistry, , vol. 25, p. 1001 - 1006

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   43.14
  • LogP   3.8851
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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