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CS-W001157 4
Total: USD 88.00

4-(4-Chlorophenoxy)benzonitrile

  • CAS No. 74448-92-3

  • Cat. No. CS-0159425
  • Purity≥98%
  • MDL No.None

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

4-(4-Chlorophenoxy)benzonitrile|CS-0159425

Structure of 74448-92-3

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General Information

  • CAS No. 74448-92-3
  • Cat. No. CS-0159425
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈ClNO
  • Molecular Weight 229.66
  • Synonym(s) 4-Chloro-4-Cyanodiphenyl Ether
  • SMILES N#CC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1

Synthesis

  • Route1
    • null|null
      1194-02-1
    • null|null
      106-48-9
    • ~99%
    • 4-(4-Chlorophenoxy)benzonitrile|CS-0159425
      74448-92-3

    References

    • Rodrigues, Tiago; Ressurreicao, Ana S.; Da Cruz, Filipa P.; Albuquerque, Ines S.; Gut, Jiri; Carrasco, Marta P.; Goncalves, Daniel; Guedes, Rita C.; Dos Santos, Daniel J.V.A.; Mota, Maria M.; Rosenthal, Philip J.; Moreira, Rui; Prudencio, Miguel; Lopes, Francisca European Journal of Medicinal Chemistry, 2013 , vol. 69, p. 872 - 880
  • Route2

    References

    • Miao, Tao; Wang, Lei Tetrahedron Letters, 2007 , vol. 48, # 1 p. 95 - 99
  • Route3

    References

    • Wang, Hailei; Yu, Ajuan; Cao, Aijuan; Chang, Junbiao; Wu, Yangjie Applied Organometallic Chemistry, 2013 , vol. 27, # 10 p. 611 - 614

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+H312+H332-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   4.00398
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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