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CS-W001157 4
Total: USD 88.00

isoxazole-5-carbonitrile

  • CAS No. 68776-59-0

  • Cat. No. CS-W000598
  • Purity≥97%
  • MDL No.MFCD18909311

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

isoxazole-5-carbonitrile|CS-W000598

Structure of 68776-59-0

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General Information

  • CAS No. 68776-59-0
  • Cat. No. CS-W000598
  • Purity ≥97%
  • MDL No. MFCD18909311
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂N₂O
  • Molecular Weight 94.07
  • Synonym(s) 5-cyanoisoxazole
  • SMILES N#Cc1ccno1

Synthesis

  • Route1
    • Isoxazole-5-carboxamide|CS-0461079
      89032-77-9
    • ~%
    • In-stock
      isoxazole-5-carbonitrile|CS-W000598
      68776-59-0

    References

    • Sumitomo Chemical Takeda Agro Company, Limited Patent: US6630592 B1, 2003 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P243-P273-P403

Quality Control

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Computational Chemistry Data

  • TPSA   49.82
  • LogP   0.54628
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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