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CS-W001157 4
Total: USD 88.00

2-(Isothiazol-3-yl)acetonitrile

  • CAS No. 14217-70-0

  • Cat. No. CS-0567752
  • Purity≥98%
  • MDL No.None

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

2-(Isothiazol-3-yl)acetonitrile|CS-0567752

Structure of 14217-70-0

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General Information

  • CAS No. 14217-70-0
  • Cat. No. CS-0567752
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄N₂S
  • Molecular Weight 124.16
  • Synonym(s) 3-Isothiazoleacetonitrile
  • SMILES N#CCC1=NSC=C1

Synthesis

  • Route1
    • 3-(Bromomethyl)isothiazole|CS-0530172
      4576-91-4
    • null|null
      143-33-9
    • ~%
    • 2-(Isothiazol-3-yl)acetonitrile|CS-0567752
      14217-70-0

    References

    • Hatanaka,M.; Ishimaru,T. Journal of Medicinal Chemistry, 1973 , vol. 16, p. 978 - 984

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302-H312-H315-H319-H332-H335
Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362-P370+P378-P403+P233-P403+P235-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.20918
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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