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CS-W001157 4
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5-Methyl-1,2-benzisoxazol-3(2H)-one

  • CAS No. 65685-49-6

  • Cat. No. CS-0030208
  • Purity≥95%
  • MDL No.MFCD00052495

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

5-Methyl-1,2-benzisoxazol-3(2H)-one|CS-0030208

Structure of 65685-49-6

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General Information

  • CAS No. 65685-49-6
  • Cat. No. CS-0030208
  • Purity ≥95%
  • MDL No. MFCD00052495
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂
  • Molecular Weight 149.15
  • Synonym(s) 5-Methylbenzo[d]isoxazol-3(2H)-one
  • SMILES O=C1NOC2=C1C=C(C)C=C2

Synthesis

  • Route1
    • N,2-Dihydroxy-5-methylbenzamide|CS-0262342
      61799-77-7
    • ~%
    • In-stock
      5-Methyl-1,2-benzisoxazol-3(2H)-one|CS-0030208
      65685-49-6

    References

    • Bolin, David Robert; Hamilton, Matthew Michael; McDermott, Lee Apostle; Qian, Yimin Patent: US2011/112158 A1, 2011 ; Location in patent: Page/Page column 11 ;
  • Route2

    References

    • Bolin, David Robert; Hamilton, Matthew Michael; McDermott, Lee Apostle; Qian, Yimin Patent: US2011/112158 A1, 2011 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46
  • LogP   1.42952
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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