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CS-W001157 4
Total: USD 88.00

4-(Phenylsulfonyl)benzonitrile

  • CAS No. 28525-13-5

  • Cat. No. CS-0313608
  • Purity≥98%
  • MDL No.None

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

4-(Phenylsulfonyl)benzonitrile|CS-0313608

Structure of 28525-13-5

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General Information

  • CAS No. 28525-13-5
  • Cat. No. CS-0313608
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO₂S
  • Molecular Weight 243.28
  • Synonym(s) 4-benzenesulfonyl-azetidin-2-one
  • SMILES C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C#N

Synthesis

  • Route1
    • null|null
      51238-46-1
    • ~88%
    • In-stock
      4-(Phenylsulfonyl)benzonitrile|CS-0313608
      28525-13-5

    References

    • ZALICUS PHARMACEUTICALS LTD.; PAJOUHESH, Hassan, A.; HOLLAND, Richard; ZHANG, Lingyun; PAJOUHESH, Hossein, O.; LAMONTAGNE, Jason; WHELAN, Brendan; SHORT, Glenn, F., III.; ROMERO, Donna, L. Patent: WO2013/131018 A1, 2013 ; Location in patent: Page/Page column 54 ;
  • Route2
    • null|null
      1194-02-1
    • In-stock
      Sodium benzenesulfinate|CS-W014314
      873-55-2
    • ~93%
    • In-stock
      4-(Phenylsulfonyl)benzonitrile|CS-0313608
      28525-13-5

    References

    • Ulman, Abraham; Urankar, Edward Journal of Organic Chemistry, 1989 , vol. 54, # 19 p. 4691 - 4692
  • Route3
    • null|null
      111278-48-9
    • ~75%
    • In-stock
      Diphenyl sulfone|CS-0014047
      127-63-9
    • null|null
      32846-68-7
    • In-stock
      4-(Phenylsulfonyl)benzonitrile|CS-0313608
      28525-13-5

    References

    • Petrillo, Giovanni; Novi, Marino; Garbarino, Giacomo; Dell'erba, Carlo Tetrahedron, 1987 , vol. 43, # 20 p. 4625 - 4634

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   2.39108
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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