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CS-W001157 4
Total: USD 88.00

4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

  • CAS No. 85292-45-1

  • Cat. No. CS-0243414
  • Purity≥97%
  • MDL No.None

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

4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid|CS-0243414

Structure of 85292-45-1

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General Information

  • CAS No. 85292-45-1
  • Cat. No. CS-0243414
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₀N₂O₃
  • Molecular Weight 266.25
  • Synonym(s) 4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-benzoic acid
  • SMILES C1=CC=C(C=C1)C2=NN=C(C3=CC=C(C=C3)C(=O)O)O2

Synthesis

  • Route1
    • null|null
      85292-39-3
    • ~86%
    • 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid|CS-0243414
      85292-45-1

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1405636 A1, 2004 ;
  • Route2
    • null|null
      109411-44-1
    • ~%
    • 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid|CS-0243414
      85292-45-1

    References

    • Grekow,A.P.; Schvaika,O.P. J. Gen. Chem. USSR (Engl. Transl.), 1960 , vol. 30, p. 3802 - 3806,3763 - 3766
  • Route3
    • null|null
      82544-82-9
    • ~%
    • 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid|CS-0243414
      85292-45-1

    References

    • Huisgen,R. et al. Chemische Berichte, 1960 , vol. 93, p. 2106 - 2124

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   76.22
  • LogP   3.1018
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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