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CS-W001157 4
Total: USD 88.00

2-(5-Methylisoxazol-3-yl)acetonitrile

  • CAS No. 35166-41-7

  • Cat. No. CS-0037928
  • Molecule weight122.13
  • Purity95+%
  • MDL No.None

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

2-(5-Methylisoxazol-3-yl)acetonitrile|CS-0037928

Structure of 35166-41-7

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General Information

  • CAS No. 35166-41-7
  • Cat. No. CS-0037928
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O
  • Molecular Weight 122.13
  • Synonym(s) 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile
  • SMILES CC1=CC(=NO1)CC#N

Synthesis

  • Route1
    • In-stock
      3-(Chloromethyl)-5-methylisoxazole|CS-0037640
      35166-37-1
    • null|null
      143-33-9
    • ~24%
    • In-stock
      2-(5-Methylisoxazol-3-yl)acetonitrile|CS-0037928
      35166-41-7

    References

    • Hogenkamp, Derk J.; Johnstone, Timothy B.C.; Gee, Kelvin W. Patent: US2006/293329 A1, 2006 ; Location in patent: Page/Page column 19 ;
  • Route2
    • In-stock
      3-(Chloromethyl)-5-methylisoxazole|CS-0037640
      35166-37-1
    • null|null
      773837-37-9
    • ~%
    • In-stock
      2-(5-Methylisoxazol-3-yl)acetonitrile|CS-0037928
      35166-41-7

    References

    • CONSTELLATION PHARMACEUTICALS, INC.; ALBRECHT, Brian, K.; GEHLING, Victor, S.; TAYLOR, Alexander, M.; VASWANI, Rishi, G. Patent: WO2013/184878 A1, 2013 ; Location in patent: Paragraph 00194; 00195 ;

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-H312-H315-H319-H332-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   49.82
  • LogP   1.0491
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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