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2-Nitrothiophene-3-carbonitrile

  • CAS No. 85598-50-1

  • Cat. No. CS-0579862
  • Purity≥98%
  • MDL No.None

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

2-Nitrothiophene-3-carbonitrile|CS-0579862

Structure of 85598-50-1

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General Information

  • CAS No. 85598-50-1
  • Cat. No. CS-0579862
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂N₂O₂S
  • Molecular Weight 154.15
  • Synonym(s) 2-NITRO-3-THIOPHENECARBONITRILE
  • SMILES C1=CSC(=C1C#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Erker, Thomas; Nemec, Stephanie Synthesis, 2004 , # 1 p. 23 - 25
  • Route2

    References

    • Gallardo, Iluminada Chemistry - A European Journal, 2001 , vol. 7, # 8 p. 1759 - 1765
  • Route3

    References

    • Nishimura; Imoto Nippon Kagaku Zasshi, 1961 , vol. 82, p. 1411 Chem.Abstr., 1963 , vol. 59, # 3860

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
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   66.93
  • LogP   1.52798
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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