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CS-W001157 4
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4-(Quinolin-3-yl)benzonitrile

  • CAS No. 57479-26-2

  • Cat. No. CS-0580660
  • Molecule weight230.26
  • Purity≥98%
  • MDL No.None

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

4-(Quinolin-3-yl)benzonitrile|CS-0580660

Structure of 57479-26-2

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General Information

  • CAS No. 57479-26-2
  • Cat. No. CS-0580660
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₀N₂
  • Molecular Weight 230.26
  • Synonym(s) 4-QUINOLIN-3-YL-BENZONITRILE
  • SMILES C1=CC=C2C(=C1)C=C(C=N2)C3=CC=C(C=C3)C#N

Synthesis

  • Route1

    References

    • Li, Hongfeng; Wang, Chengyu; Huang, He; Xu, Xiaolei; Li, Yanzhong Tetrahedron Letters, 2011 , vol. 52, # 10 p. 1108 - 1111
  • Route2

    References

    • Sase, Shohei; Jaric, Milica; Metzger, Albrecht; Malakhov, Vladimir; Knochel, Paul Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7380 - 7382
  • Route3

    References

    • Kim, Seung-Hoi; Rieke, Reuben D. Tetrahedron, 2010 , vol. 66, # 17 p. 3135 - 3146

Safety Information

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GHS Pictogram : 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   36.68
  • LogP   3.77348
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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