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CS-W001157 4
Total: USD 88.00

Isoxazole-3-carbaldehyde

  • CAS No. 89180-61-0

  • Cat. No. CS-0053739
  • Purity≥95%
  • MDL No.None

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

Isoxazole-3-carbaldehyde|CS-0053739

Structure of 89180-61-0

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General Information

  • CAS No. 89180-61-0
  • Cat. No. CS-0053739
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃NO₂
  • Molecular Weight 97.07
  • Synonym(s) isoxazole-3-carboxaldehyde
  • SMILES O=CC1=NOC=C1

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2004/58763 A1, 2004 ; Location in patent: Page 41 ; WO 2004/058763 A1
  • Route2
    • null|null
      64-19-7
    • null|null
      74-86-2
    • ~%
    • In-stock
      Isoxazole-3-carbaldehyde|CS-0053739
      89180-61-0

    References

    • US2855402 , ;
  • Route3
    • null|null
      64-19-7
    • null|null
      74-86-2
    • ~%
    • Isoxazole-3-carbonitrile|CS-0044102
      68776-57-8
    • 3,3'-Biisoxazole|CS-0767576
      16840-55-4
    • In-stock
      Isoxazole-3-carbaldehyde|CS-0053739
      89180-61-0

    References

    • US2855402 , ;

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   43.1
  • LogP   0.4871
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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