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CS-W001157 4
Total: USD 88.00

Benzo[c]isoxazole-3-carboxylic acid

  • CAS No. 642-91-1

  • Cat. No. CS-0038171
  • Molecule weight163.13
  • Purity≥96%
  • MDL No.MFCD02180526

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

Benzo[c]isoxazole-3-carboxylic acid|CS-0038171

Structure of 642-91-1

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General Information

  • CAS No. 642-91-1
  • Cat. No. CS-0038171
  • Purity ≥96%
  • MDL No. MFCD02180526
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₃
  • Molecular Weight 163.13
  • Synonym(s) 2,1-Benzisoxazole-3-carboxylic acid
  • SMILES C1=CC2=C(C(=O)O)ON=C2C=C1

Synthesis

  • Route1
    • null|null
      90348-25-7
    • ~%
    • In-stock
      Benzo[c]isoxazole-3-carboxylic acid|CS-0038171
      642-91-1

    References

    • Helvetica Chimica Acta, , vol. 44, p. 1748 - 1753
  • Route2
    • Ethyl 2-cyano-2-(2-nitrophenyl)acetate|CS-0213426
      65548-02-9
    • ~%
    • In-stock
      Benzo[c]isoxazole-3-carboxylic acid|CS-0038171
      642-91-1

    References

    • Helvetica Chimica Acta, , vol. 44, p. 1748 - 1753
  • Route3
    • null|null
      96331-77-0
    • ~%
    • In-stock
      Benzo[c]isoxazole-3-carboxylic acid|CS-0038171
      642-91-1

    References

    • Journal of the Chemical Society, , p. 3092 - 3097

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   1.526
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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