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CS-W001157 4
Total: USD 88.00

4-(1-Carboxyethyl)benzoic acid

  • CAS No. 67381-50-4

  • Cat. No. CS-0490842
  • Molecule weight194.18
  • Purity≥98%
  • MDL No.MFCD20639198

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

4-(1-Carboxyethyl)benzoic acid|CS-0490842

Structure of 67381-50-4

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General Information

  • CAS No. 67381-50-4
  • Cat. No. CS-0490842
  • Purity ≥98%
  • MDL No. MFCD20639198
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) Ibuprofen Related Compound 2
  • SMILES OC(=O)C(C)C1=CC=C(C(O)=O)C=C1

Synthesis

  • Route1
    • null|null
      77959-48-9
    • ~87%
    • 4-(1-Carboxyethyl)benzoic acid|CS-0490842
      67381-50-4

    References

    • GRUeNENTHAL GMBH; FRANK, Robert; BAHRENBERG, Gregor; CHRISTOPH, Thomas; SCHIENE, Klaus; DE VRY, Jean; DAMANN, Nils; FRORMANN, Sven; LESCH, Bernhard; LEE, Jeewoo; KIM, Yong-Soo; KIM, Myeon-Seop Patent: WO2010/127856 A1, 2010 ; Location in patent: Page/Page column 94; 95 ;
  • Route2

    References

    • Lee, Jong-Tae; Alper, Howard Tetrahedron Letters, 1991 , vol. 32, # 15 p. 1769 - 1770
  • Route3

    References

    • Errera Gazzetta Chimica Italiana, 1891 , vol. 21 I, p. 98

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.5729
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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