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methyl 4-nitrothiophene-2-carboxylate

  • CAS No. 24647-78-7

  • Cat. No. CS-0008650
  • Purity≥98%
  • MDL No.MFCD09864849

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

methyl 4-nitrothiophene-2-carboxylate|CS-0008650

Structure of 24647-78-7

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General Information

  • CAS No. 24647-78-7
  • Cat. No. CS-0008650
  • Purity ≥98%
  • MDL No. MFCD09864849
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₄S
  • Molecular Weight 187.17
  • Synonym(s) 4-NITRO-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
  • SMILES O=C(C1=CC([N+]([O-])=O)=CS1)OC

Synthesis

  • Route1

    References

    • WO2010/29577 A2, ; Page/Page column 38-39 ;
  • Route2

    References

    • Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 1331 - 1335
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 77, p. 577

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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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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