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CS-W001157 4
Total: USD 88.00

4-(3-nitrophenyl)benzonitrile

  • CAS No. 39117-72-1

  • Cat. No. CS-0209203
  • Purity≥98%
  • MDL No.MFCD06803023

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

4-(3-nitrophenyl)benzonitrile|CS-0209203

Structure of 39117-72-1

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General Information

  • CAS No. 39117-72-1
  • Cat. No. CS-0209203
  • Purity ≥98%
  • MDL No. MFCD06803023
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈N₂O₂
  • Molecular Weight 224.21
  • Synonym(s) 3'-Nitro-[1,1'-biphenyl]-4-carbonitrile
  • SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C#N

Synthesis

  • Route1

    References

    • Cho, Su-Dong; Kim, Ho-Kyun; Yim, Heung-seop; Kim, Mi-Ra; Lee, Jin-Kook; Kim, Jeum-Jong; Yoon, Yong-Jin Tetrahedron, 2007 , vol. 63, # 6 p. 1345 - 1352
  • Route2

    References

    • Molander, Gary A.; Biolatto, Betina Journal of Organic Chemistry, 2003 , vol. 68, # 11 p. 4302 - 4314
  • Route3
    • 3-Nitrobiphenyl|CS-0206916
      2113-58-8
    • null|null
      151-50-8
    • ~%
    • 4-(3-nitrophenyl)benzonitrile|CS-0209203
      39117-72-1

    References

    • Vink,J.A.J. et al. Tetrahedron, 1972 , vol. 28, p. 5081 - 5087

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

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   3.13348
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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