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CS-W001157 4
Total: USD 88.00

1-(5-Methylisoxazol-4-yl)ethan-1-one

  • CAS No. 6497-21-8

  • Cat. No. CS-0099924
  • Molecule weight125.13
  • Purity95+%
  • MDL No.MFCD01935998

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

1-(5-Methylisoxazol-4-yl)ethan-1-one|CS-0099924

Structure of 6497-21-8

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General Information

  • CAS No. 6497-21-8
  • Cat. No. CS-0099924
  • Purity 95+%
  • MDL No. MFCD01935998
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₂
  • Molecular Weight 125.13
  • Synonym(s) 1-(5-Methylisoxazol-4-yl)ethanone
  • SMILES CC1=C(C(C)=O)C=NO1

Synthesis

  • Route1
    • 3-((Dimethylamino)methylene)pentane-2,4-dione|CS-0576300
      18856-72-9
    • ~73%
    • 1-(5-Methylisoxazol-4-yl)ethan-1-one|CS-0099924
      6497-21-8

    References

    • Menozzi, Giulia; Schenone, Pietro; Mosti, Luisa Journal of Heterocyclic Chemistry, 1983 , vol. 20, p. 645 - 648
  • Route2
    • null|null
      123-54-6
    • ~%
    • 1-(5-Methylisoxazol-4-yl)ethan-1-one|CS-0099924
      6497-21-8

    References

    • Organic Letters, , vol. 9, # 10 p. 2043 - 2046

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   1.18562
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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