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CS-W001157 4
Total: USD 88.00

4-(3-Chlorophenyl)butanoic acid

  • CAS No. 22991-05-5

  • Cat. No. CS-0433453
  • Molecule weight198.65
  • Purity≥95%
  • MDL No.None

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

4-(3-Chlorophenyl)butanoic acid|CS-0433453

Structure of 22991-05-5

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General Information

  • CAS No. 22991-05-5
  • Cat. No. CS-0433453
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO₂
  • Molecular Weight 198.65
  • Synonym(s) 4-(3-Chloro-phenyl)-butyric acid
  • SMILES O=C(O)CCCC1=CC=CC(Cl)=C1

Synthesis

  • Route1

    References

    • Rohm and Haas Company Patent: US5552409 A1, 1996 ;
  • Route2
    • null|null
      1374877-39-0
    • ~38%
    • 4-(3-Chlorophenyl)butanoic acid|CS-0433453
      22991-05-5

    References

    • Stoessel, Anne; Schlenk, Miriam; Hinz, Sonja; Kueppers, Petra; Heer, Jag; Guetschow, Michael; Mueller, Christa E. Journal of Medicinal Chemistry, 2013 , vol. 56, # 11 p. 4580 - 4596
  • Route3
    • null|null
      603-35-0
    • ~%
    • 4-(3-Chlorophenyl)butanoic acid|CS-0433453
      22991-05-5

    References

    • Stoessel, Anne; Schlenk, Miriam; Hinz, Sonja; Kueppers, Petra; Heer, Jag; Guetschow, Michael; Mueller, Christa E. Journal of Medicinal Chemistry, 2013 , vol. 56, # 11 p. 4580 - 4596

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7473
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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