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CS-W001157 4
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3-Phenyl-benzo[c]isoxazole-5-carboxylic acid

  • CAS No. 39695-71-1

  • Cat. No. CS-0072397
  • Molecule weight239.23
  • Purity≥97%
  • MDL No.MFCD00826750

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

3-Phenyl-benzo[c]isoxazole-5-carboxylic acid|CS-0072397

Structure of 39695-71-1

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General Information

  • CAS No. 39695-71-1
  • Cat. No. CS-0072397
  • Purity ≥97%
  • MDL No. MFCD00826750
  • 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-Phenyl-2,1-Benzoxazole-5-Carboxylic Acid
  • SMILES O=C(O)C1=CC2=C(C3=CC=CC=C3)ON=C2C=C1

Synthesis

  • Route1

    References

    • Orlov, V. Yu.; Kotov, A. D.; Bystryakova, E. B.; Kopeikin, V. V.; Mironov, G. S. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 9 p. 1481 - 1484 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 9 p. 1407 - 1410
  • Route2
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      Methyl 4-nitrobenzoate|CS-W016003
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    • 3-Phenyl-benzo[c]isoxazole-5-carboxylic acid|CS-0072397
      39695-71-1
    • null|null
      39695-69-7

    References

    • Makosza,M.; Zielinska,A. Roczniki Chemii, 1972 , vol. 46, p. 955 - 961
  • Route3
    • In-stock
      Ethyl 4-nitrobenzoate|CS-0016919
      99-77-4
    • null|null
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    • ~%
    • 3-Phenyl-benzo[c]isoxazole-5-carboxylic acid|CS-0072397
      39695-71-1
    • null|null
      39695-70-0

    References

    • Makosza,M.; Zielinska,A. Roczniki Chemii, 1972 , vol. 46, p. 955 - 961

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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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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