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CS-W001157 4
Total: USD 88.00

2-Amino-4-(4-nitrophenyl)thiophene-3-carbonitrile

  • CAS No. 86604-41-3

  • Cat. No. CS-0086719
  • Molecule weight245.26
  • Purity≥98%
  • MDL No.MFCD05225750

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

2-Amino-4-(4-nitrophenyl)thiophene-3-carbonitrile|CS-0086719

Structure of 86604-41-3

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General Information

  • CAS No. 86604-41-3
  • Cat. No. CS-0086719
  • Purity ≥98%
  • MDL No. MFCD05225750
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇N₃O₂S
  • Molecular Weight 245.26
  • Synonym(s) 2-AMINO-4-(4-NITROPHENYL)THIOPHENE-3-CARBONITRILE(WXG03037)
  • SMILES N#CC1=C(N)SC=C1C2=CC=C([N+]([O-])=O)C=C2

Synthesis

  • Route1
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • null|null
      109-77-3
    • ~73%
    • 2-Amino-4-(4-nitrophenyl)thiophene-3-carbonitrile|CS-0086719
      86604-41-3

    References

    • Tayebee, Reza; Javadi, Farzad; Argi, Gholamreza Journal of Molecular Catalysis A: Chemical, 2013 , vol. 368-369, p. 16 - 23
  • Route2
    • null|null
      26088-96-0
    • ~87%
    • 2-Amino-4-(4-nitrophenyl)thiophene-3-carbonitrile|CS-0086719
      86604-41-3

    References

    • Barnes, David M.; Haight, Anthony R.; Hameury, Thomas; McLaughlin, Maureen A.; Mei, Jianzhang; Tedrow, Jason S.; Riva Toma, Joan Dalla Tetrahedron, 2006 , vol. 62, # 49 p. 11311 - 11319
  • Route3
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~%
    • 2-Amino-4-(4-nitrophenyl)thiophene-3-carbonitrile|CS-0086719
      86604-41-3

    References

    • McLaughlin, Maureen A.; Barnes, David M. Tetrahedron Letters, 2006 , vol. 47, # 51 p. 9095 - 9097

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   92.95
  • LogP   2.77718
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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