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CS-W001157 4
Total: USD 88.00

3-(1,3-Benzoxazol-2-yl)benzoic acid

  • CAS No. 20000-56-0

  • Cat. No. CS-0217079
  • Purity≥97%
  • MDL No.None

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

3-(1,3-Benzoxazol-2-yl)benzoic acid|CS-0217079

Structure of 20000-56-0

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General Information

  • CAS No. 20000-56-0
  • Cat. No. CS-0217079
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉NO₃
  • Molecular Weight 239.23
  • Synonym(s) 3-Benzooxazol-2-yl-benzoic acid
  • SMILES O=C(O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1

Synthesis

  • Route1
    • Methyl 3-(benzo[d]oxazol-2-yl)benzoate|CS-0680414
      20000-55-9
    • ~%
    • 3-(1,3-Benzoxazol-2-yl)benzoic acid|CS-0217079
      20000-56-0

    References

    • Bystrov,V.F. et al. J. Gen. Chem. USSR (Engl. Transl.), 1968 , vol. 38, p. 1001 - 1005,963 - 966
  • Route2
    • null|null
      3441-03-0
    • ~%
    • 3-(1,3-Benzoxazol-2-yl)benzoic acid|CS-0217079
      20000-56-0

    References

    • Bystrov,V.F. et al. J. Gen. Chem. USSR (Engl. Transl.), 1968 , vol. 38, p. 1001 - 1005,963 - 966
  • Route3
    • null|null
      95-55-6
    • ~%
    • 3-(1,3-Benzoxazol-2-yl)benzoic acid|CS-0217079
      20000-56-0

    References

    • Bystrov,V.F. et al. J. Gen. Chem. USSR (Engl. Transl.), 1968 , vol. 38, p. 1001 - 1005,963 - 966

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   3.193
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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