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Methyl 5-bromo-3-nitrothiophene-2-carboxylate

  • CAS No. 99839-45-9

  • Cat. No. CS-0467469
  • Purity≥98%
  • MDL No.None

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

Methyl 5-bromo-3-nitrothiophene-2-carboxylate|CS-0467469

Structure of 99839-45-9

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General Information

  • CAS No. 99839-45-9
  • Cat. No. CS-0467469
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BrNO₄S
  • Molecular Weight 266.07
  • Synonym(s) 5-bromo-3-nitrothiophene-2-carboxylic acid methyl ester
  • SMILES COC(=O)C1=C(C=C(Br)S1)[N+](=O)[O-]

Synthesis

  • Route1
    • Methyl 3-nitrothiophene-2-carboxylate|CS-0455544
      75735-44-3
    • ~%
    • Methyl 5-bromo-3-nitrothiophene-2-carboxylate|CS-0467469
      99839-45-9

    References

    • SANOFI-AVENTIS Patent: WO2007/93365 A2, 2007 ; Location in patent: Page/Page column 73; 84 ; WO 2007/093365 A2

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

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.2054
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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