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2-Benzoxazolecarboxylic acid

  • CAS No. 21598-08-3

  • Cat. No. CS-0205511
  • Molecule weight163.13
  • Purity≥98%
  • MDL No.MFCD06738861

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

2-Benzoxazolecarboxylic acid|CS-0205511

Structure of 21598-08-3

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General Information

  • CAS No. 21598-08-3
  • Cat. No. CS-0205511
  • Purity ≥98%
  • MDL No. MFCD06738861
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₃
  • Molecular Weight 163.13
  • Synonym(s) Benzooxazole-2-carboxylic acid
  • SMILES O=C(O)C1=NC=2C=CC=CC2O1

Synthesis

  • Route1

    References

    • Boogaerts, Ine I. F.; Nolan, Steven P. Journal of the American Chemical Society, 2010 , vol. 132, # 26 p. 8858 - 8859
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    • 2-Benzoxazolecarboxylic acid|CS-0205511
      21598-08-3

    References

    • Chemische Berichte, , vol. 97, p. 1599 - 1608
  • Route3

    References

    • Chemische Berichte, , vol. 55, p. 1097

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   1.526
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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