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CS-W001157 4
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Methyl 3-nitrothiophene-2-carboxylate

  • CAS No. 75735-44-3

  • Cat. No. CS-0455544
  • Purity≥98%
  • MDL No.None

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

Methyl 3-nitrothiophene-2-carboxylate|CS-0455544

Structure of 75735-44-3

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General Information

  • CAS No. 75735-44-3
  • Cat. No. CS-0455544
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₄S
  • Molecular Weight 187.17
  • Synonym(s) Methyl 3-nitro-2-thiophenecarboxylate
  • SMILES COC(=O)C1=C(C=CS1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Rozen, Shlomo; Bareket, Yifat Journal of Organic Chemistry, 1997 , vol. 62, # 5 p. 1457 - 1462
  • Route2

    References

    • Shackelford, Scott A.; Anderson, Mark B.; Christie, Lance C.; Goetzen, Thomas; Guzman, Mark C.; Hananel, Martha A.; Kornreich, Wayne D.; Li, Haitao; Pathak, Ved P.; Rabinovich, Alex K.; Rajapakse, Ranjan J.; Truesdale, Larry K.; Tsank, Stella M.; Vazir, Haresh N. Journal of Organic Chemistry, 2003 , vol. 68, # 2 p. 267 - 275
  • Route3

    References

    • Bastide; Badon; Cambon; Vega Pesticide Science, 1994 , vol. 40, # 4 p. 293 - 297

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
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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