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

  • CAS No. 20699-86-9

  • Cat. No. CS-0021629
  • Purity≥98%
  • MDL No.MFCD03618409

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

Methyl 5-nitrobenzo[b]thiophene-2-carboxylate|CS-0021629

Structure of 20699-86-9

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General Information

  • CAS No. 20699-86-9
  • Cat. No. CS-0021629
  • Purity ≥98%
  • MDL No. MFCD03618409
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₄S
  • Molecular Weight 237.23
  • Synonym(s) Methyl 5-nitrobenzo[b]thiophene-2-carboxylate; 5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
  • SMILES O=C(C1=CC2=CC([N+]([O-])=O)=CC=C2S1)OC

Synthesis

  • Route1
    • null|null
      2365-48-2
    • In-stock
      2-Chloro-5-nitrobenzaldehyde|CS-0008366
      6361-21-3
    • ~96%
    • In-stock
      Methyl 5-nitrobenzo[b]thiophene-2-carboxylate|CS-0021629
      20699-86-9

    References

    • S*BIO PTE LTD Patent: WO2006/101454 A1, 2006 ; Location in patent: Page/Page column 45 ; WO 2006/101454 A1

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   2.5961
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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