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CS-W001157 4
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Methyl 4-nitrobenzo[b]thiophene-2-carboxylate

  • CAS No. 34084-87-2

  • Cat. No. CS-0148774
  • Molecule weight237.23
  • Purity≥96%
  • MDL No.None

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

Methyl 4-nitrobenzo[b]thiophene-2-carboxylate|CS-0148774

Structure of 34084-87-2

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General Information

  • CAS No. 34084-87-2
  • Cat. No. CS-0148774
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₄S
  • Molecular Weight 237.23
  • Synonym(s) 4-Nitrobenzothiophen-2-carbonsaeuremethylester
  • SMILES COC(C1=CC2=C(C=CC=C2S1)[N+]([O-])=O)=O

Synthesis

  • Route1
    • 2,6-Dinitrobenzaldehyde|CS-0359019
      606-31-5
    • null|null
      2365-48-2
    • ~%
    • Methyl 4-nitrobenzo[b]thiophene-2-carboxylate|CS-0148774
      34084-87-2

    References

    • Lee, Sunkyung; Lee, Hyunsuk; Kyu, Yang Yi; Byung, Ho Lee; Yoo, Sung-Eun; Lee, Kyunghee; Nam, Sook Cho Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 12 p. 2998 - 3001

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.5961
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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