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CS-W001157 4
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1-(4-Cyanophenyl)-3-phenylurea

  • CAS No. 107676-58-4

  • Cat. No. CS-0243684
  • Molecule weight237.26
  • Purity≥97%
  • MDL No.None

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

1-(4-Cyanophenyl)-3-phenylurea|CS-0243684

Structure of 107676-58-4

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General Information

  • CAS No. 107676-58-4
  • Cat. No. CS-0243684
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁N₃O
  • Molecular Weight 237.26
  • Synonym(s) N-(4-CYANOPHENYL)-N''-PHENYLUREA
  • SMILES O=C(NC1=CC=CC=C1)NC2=CC=C(C#N)C=C2

Synthesis

  • Route1
    • null|null
      74497-02-2
    • null|null
      204390-13-6
    • ~85%
    • 1-(4-Cyanophenyl)-3-phenylurea|CS-0243684
      107676-58-4

    References

    • Rawling, Tristan; McDonagh, Andrew M.; Tattam, Bruce; Murray, Michael Tetrahedron, 2012 , vol. 68, # 30 p. 6065 - 6070
  • Route2
    • null|null
      40465-45-0
    • null|null
      74497-02-2
    • ~90%
    • 1-(4-Cyanophenyl)-3-phenylurea|CS-0243684
      107676-58-4

    References

    • Zhang, Bei; Zhao, Yanfang; Zhai, Xin; Wang, Lihui; Yang, Jingyu; Tan, Zehui; Gong, Ping Chemical and Pharmaceutical Bulletin, 2012 , vol. 60, # 8 p. 1046 - 1054
  • Route3

    References

    • Thalluri, Kishore; Manne, Srinivasa Rao; Dev, Dharm; Mandal, Bhubaneswar Journal of Organic Chemistry, 2014 , vol. 79, # 9 p. 3765 - 3775

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   64.92
  • LogP   3.20228
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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