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CS-W001157 4
Total: USD 88.00

Benoxaprofen

  • CAS No. 51234-28-7

  • Cat. No. CS-0007198
  • Purity≥97%
  • MDL No.MFCD00866099

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

Benoxaprofen|CS-0007198

Structure of 51234-28-7

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General Information

  • CAS No. 51234-28-7
  • Cat. No. CS-0007198
  • Purity ≥97%
  • MDL No. MFCD00866099
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂ClNO₃
  • Molecular Weight 301.72
  • Synonym(s) LRCL 3794
  • SMILES O=C(O)C(C)C1=CC=C(OC(C2=CC=C(Cl)C=C2)=N3)C3=C1

Synthesis

  • Route1
    • null|null
      87498-09-7
    • ~77%
    • In-stock
      Benoxaprofen|CS-0007198
      51234-28-7

    References

    • Taylor, Edward C.; Katz, Alan H.; Alvarado, Sergio I.; McKillop, Alexander Journal of Organic Chemistry, 1986 , vol. 51, # 9 p. 1607 - 1609
  • Route2
    • 2-(4-Hydroxyphenyl)propanenitrile|CS-0519194
      21850-61-3
    • ~%
    • In-stock
      Benoxaprofen|CS-0007198
      51234-28-7

    References

    • Dunwell,D.W. et al. Journal of Medicinal Chemistry, 1975 , vol. 18, # 1 p. 53 - 58
  • Route3
    • null|null
      51234-22-1
    • ~%
    • In-stock
      Benoxaprofen|CS-0007198
      51234-28-7

    References

    • Dunwell,D.W. et al. Journal of Medicinal Chemistry, 1975 , vol. 18, # 1 p. 53 - 58

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H413
Precautionary Statements : P264-P270-P273-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   4.3363
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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