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CS-W001157 4
Total: USD 88.00

Ethyl 5-nitrobenzo[b]thiophene-2-carboxylate

  • CAS No. 25785-09-5

  • Cat. No. CS-0148776
  • Purity≥98%
  • MDL No.MFCD03791163

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

Ethyl 5-nitrobenzo[b]thiophene-2-carboxylate|CS-0148776

Structure of 25785-09-5

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General Information

  • CAS No. 25785-09-5
  • Cat. No. CS-0148776
  • Purity ≥98%
  • MDL No. MFCD03791163
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₄S
  • Molecular Weight 251.26
  • Synonym(s) Ethyl 5-nitro-1-benzothiophene-2-carboxylate
  • SMILES O=C(C1=CC2=CC([N+]([O-])=O)=CC=C2S1)OCC

Synthesis

  • Route1
    • null|null
      623-51-8
    • In-stock
      2-Chloro-5-nitrobenzaldehyde|CS-0008366
      6361-21-3
    • ~96%
    • In-stock
      Ethyl 5-nitrobenzo[b]thiophene-2-carboxylate|CS-0148776
      25785-09-5

    References

    • Cai, Jin; Zhang, Shaoning; Zheng, Ming; Wu, Xiaoqing; Chen, Junqing; Ji, Min Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 2 p. 806 - 810
  • Route2
    • In-stock
      2-Fluoro-5-nitrobenzaldehyde|CS-W001207
      27996-87-8
    • null|null
      623-51-8
    • ~92%
    • In-stock
      Ethyl 5-nitrobenzo[b]thiophene-2-carboxylate|CS-0148776
      25785-09-5

    References

    • Kori, Masakuni; Miki, Takashi; Nishimoto, Tomoyuki; Tozawa, Ryuichi Patent: US2003/78251 A1, 2003 ;
  • Route3
    • null|null
      55163-91-2
    • In-stock
      2-Chloro-5-nitrobenzaldehyde|CS-0008366
      6361-21-3
    • ~83%
    • In-stock
      Ethyl 5-nitrobenzo[b]thiophene-2-carboxylate|CS-0148776
      25785-09-5

    References

    • QUEEN MARY and WESTFIELD COLLEGE; UNIVERSITY COLLEGE LONDON; BARTS AND THE LONDON NHS TRUST Patent: WO2004/46094 A1, 2004 ; Location in patent: Page 60 ;

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   69.44
  • LogP   2.9862
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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