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CS-W001157 4
Total: USD 88.00

4-(4-Chlorophenoxy)benzoic acid

  • CAS No. 21120-67-2

  • Cat. No. CS-0200165
  • Purity≥98%
  • MDL No.None

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

4-(4-Chlorophenoxy)benzoic acid|CS-0200165

Structure of 21120-67-2

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General Information

  • CAS No. 21120-67-2
  • Cat. No. CS-0200165
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉ClO₃
  • Molecular Weight 248.66
  • Synonym(s) 4'-Carboxy-4-chlor-diphenyl-aether
  • SMILES C1=C(C=CC(=C1)OC2=CC=C(C=C2)Cl)C(=O)O

Synthesis

  • Route1
    • Methyl 4-(4-chlorophenoxy)benzoate|CS-1716668
      21120-74-1
    • ~81%
    • In-stock
      4-(4-Chlorophenoxy)benzoic acid|CS-0200165
      21120-67-2

    References

    • PFIZER INC.; SPRINGER, John Robert; DEVADAS, Balekudru; GARLAND, Danny James; GRAPPERHAUS, Margaret Lanahan; HAN, Seungil; HOCKERMAN, Susan Landis; HUGHES, Robert Owen; SAIAH, Eddine; SCHNUTE, Mark Edward; SELNESS, Shaun Raj; WALKER, Daniel Patrick; WAN, Zhao-Kui; XING, Li; ZAPF, Christoph Wolfgang; SCHMIDT, Michelle, Ann Patent: WO2014/68527 A1, 2014 ; Location in patent: Page/Page column 91 ;
  • Route2
    • 4-(4-Chlorophenoxy)benzonitrile|CS-0159425
      74448-92-3
    • ~97%
    • In-stock
      4-(4-Chlorophenoxy)benzoic acid|CS-0200165
      21120-67-2

    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
  • Route3

    References

    • Haydock; Mulholland; Telford; et al. European Journal of Medicinal Chemistry, 1984 , vol. 19, # 3 p. 205 - 214

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H317-H319-H372-H400
Precautionary Statements : P260-P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.8305
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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