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CS-W001157 4
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2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol

  • CAS No. 1202769-66-1

  • Cat. No. CS-0127858
  • Molecule weight151.16
  • Purity≥95%
  • MDL No.MFCD21364447

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

2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol|CS-0127858

Structure of 1202769-66-1

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General Information

  • CAS No. 1202769-66-1
  • Cat. No. CS-0127858
  • Purity ≥95%
  • MDL No. MFCD21364447
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₂
  • Molecular Weight 151.16
  • Synonym(s) a-Ethynyl-a,5-dimethyl-3-isoxazolemethanol
  • SMILES C#CC(O)(C)C1=NOC(C)=C1

Synthesis

  • Route1

    References

    • Genentech, Inc. Patent: US2012/214762 A1, 2012 ; Location in patent: Page/Page column 102 ;
  • Route2

    References

    • Genentech, Inc. Patent: US2012/214762 A1, 2012 ;

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

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   0.82372
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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