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CS-W001157 4
Total: USD 88.00

5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid

  • CAS No. 91182-60-4

  • Cat. No. CS-M1999
  • Molecule weight282.09
  • Purity≥98%
  • MDL No.MFCD16447083

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

5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid|CS-M1999

Structure of 91182-60-4

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General Information

  • CAS No. 91182-60-4
  • Cat. No. CS-M1999
  • Purity ≥98%
  • MDL No. MFCD16447083
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈BrNO₃
  • Molecular Weight 282.09
  • Synonym(s) 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid
  • SMILES O=C(C1=C(C2=CC=C(Br)C=C2)ON=C1C)O

Synthesis

  • Route1
    • 5-(4-Bromophenyl)-2-ethyl-3-methyl-2,5-dihydroisoxazole-4-carboxylic acid|CS-0587643
      917388-58-0
    • ~95%
    • In-stock
      5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid|CS-M1999
      91182-60-4

    References

    • Gerritz, Samuel; Shi, Shuhao; Zhu, Shirong Patent: US2006/287287 A1, 2006 ; Location in patent: Page/Page column 31-32 ; US 20060287287 A1
  • Route2

    References

    • INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ;
  • Route3
    • null|null
      586-75-4
    • ~%
    • In-stock
      5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid|CS-M1999
      91182-60-4

    References

    • INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ;

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+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   3.11072
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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