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CS-W001157 4
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Methyl 5-nitrothiophene-2-carboxylate

  • CAS No. 5832-01-9

  • Cat. No. CS-0037854
  • Purity≥97%
  • MDL No.None

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

Methyl 5-nitrothiophene-2-carboxylate|CS-0037854

Structure of 5832-01-9

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General Information

  • CAS No. 5832-01-9
  • Cat. No. CS-0037854
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₄S
  • Molecular Weight 187.17
  • Synonym(s) methyl 5-nitro-2-thenoate
  • SMILES COC(=O)C1=CC=C([N+](=O)[O-])S1

Synthesis

  • Route1

    References

    • Labaz Patent: US4219482 A1, 1980 ;
  • Route2
    • In-stock
      5-Nitrothiophene-2-carboxylic acid|CS-W017558
      6317-37-9
    • null|null
      77-78-1
    • ~89%
    • In-stock
      Methyl 5-nitrothiophene-2-carboxylate|CS-0037854
      5832-01-9

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/18480 A1, 2004 ; Location in patent: Page 155 ; WO 2004/018480 A1
  • Route3
    • In-stock
      5-Nitrothiophene-2-carboxaldehyde|CS-W013285
      4521-33-9
    • null|null
      107-06-2
    • ~97%
    • In-stock
      Methyl 5-nitrothiophene-2-carboxylate|CS-0037854
      5832-01-9

    References

    • Labaz Patent: US4219482 A1, 1980 ;

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   1.4429
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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