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CS-W001157 4
Total: USD 88.00

4-(2-Chlorophenoxy)butanoic acid

  • CAS No. 5057-52-3

  • Cat. No. CS-0252515
  • Molecule weight214.65
  • Purity≥95%
  • MDL No.None

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

4-(2-Chlorophenoxy)butanoic acid|CS-0252515

Structure of 5057-52-3

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General Information

  • CAS No. 5057-52-3
  • Cat. No. CS-0252515
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO₃
  • Molecular Weight 214.65
  • Synonym(s) 4-(o-Chlorphenethyl)-pyridin
  • SMILES C1=CC=C(C(=C1)Cl)OCCCC(=O)O

Synthesis

  • Route1
    • Furan-2(3H)-one|CS-1014281
      20825-71-2
    • null|null
      95-57-8
    • ~83%
    • 4-(2-Chlorophenoxy)butanoic acid|CS-0252515
      5057-52-3

    References

    • Dehmlow, Henrietta; Grether, Uwe; Kratochwil, Nicole A.; Narquizian, Robert; Panousis, Constantinos Patent: US2007/72873 A1, 2007 ; Location in patent: Page/Page column 16 ; US 20070072873 A1
  • Route2
    • null|null
      111105-19-2
    • ~%
    • 4-(2-Chlorophenoxy)butanoic acid|CS-0252515
      5057-52-3

    References

    • EMISPHERE TECHNOLOGIES, INC.; LIAO, Jun; TANG, Pingwah; GSCHNEIDNER, David; MAEYER, Jonathan Patent: WO2008/27958 A2, 2008 ; Location in patent: Page/Page column 23-24 ;
  • Route3
    • null|null
      96-48-0
    • null|null
      95-57-8
    • ~%
    • 4-(2-Chlorophenoxy)butanoic acid|CS-0252515
      5057-52-3

    References

    • Nioche, J. Y.; Decerprit, J.; Festal, D. European Journal of Medicinal Chemistry, 1995 , vol. 30, # 5 p. 377 - 386

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.5836
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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