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CS-W001157 4
Total: USD 88.00

5-Nitrobenzo[b]thiophene

  • CAS No. 4965-26-8

  • Cat. No. CS-W006433
  • Purity≥95%
  • MDL No.MFCD01159605

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

5-Nitrobenzo[b]thiophene|CS-W006433

Structure of 4965-26-8

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General Information

  • CAS No. 4965-26-8
  • Cat. No. CS-W006433
  • Purity ≥95%
  • MDL No. MFCD01159605
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₂S
  • Molecular Weight 179.20
  • Synonym(s) 5-Nitrobenzothiophene
  • SMILES O=[N+](C1=CC=C2C(C=CS2)=C1)[O-]

Synthesis

  • Route1

    References

    • AMGEN, INC. Patent: WO2006/66172 A1, 2006 ; Location in patent: Page/Page column 27 ; WO 2006/066172 A1
  • Route2
    • null|null
      2365-48-2
    • In-stock
      2-Chloro-5-nitrobenzaldehyde|CS-0008366
      6361-21-3
    • ~81%
    • In-stock
      5-Nitrobenzo[b]thiophene|CS-W006433
      4965-26-8

    References

    • Pharmacia and Upjohn Co. Patent: US6387896 B1, 2002 ;
  • Route3
    • null|null
      869624-56-6
    • ~69%
    • In-stock
      5-Nitrobenzo[b]thiophene|CS-W006433
      4965-26-8

    References

    • Bianchi, Lara; Dell'Erba, Carlo; Maccagno, Massimo; Petrillo, Giovanni; Rizzato, Egon; Sancassan, Fernando; Severi, Elda; Tavani, Cinzia Journal of Organic Chemistry, 2005 , vol. 70, # 22 p. 8734 - 8738

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.8095
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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