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CS-W001157 4
Total: USD 88.00

3-Methylisothiazole-4-carbonitrile

  • CAS No. 58850-81-0

  • Cat. No. CS-0152706
  • Purity≥95%
  • MDL No.MFCD11035952

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

3-Methylisothiazole-4-carbonitrile|CS-0152706

Structure of 58850-81-0

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General Information

  • CAS No. 58850-81-0
  • Cat. No. CS-0152706
  • Purity ≥95%
  • MDL No. MFCD11035952
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄N₂S
  • Molecular Weight 124.16
  • Synonym(s) 2-Chloro-4,6-dimethyl-nicotinonitrile
  • SMILES CC1=NSC=C1C#N

Synthesis

  • Route1
    • null|null
      124413-17-8
    • ~75%
    • In-stock
      3-Methylisothiazole-4-carbonitrile|CS-0152706
      58850-81-0

    References

    • Muraoka, Motomu; Yamamoto, Tatsuo; Enomoto, Kazuo; Takeshima, Tatsuo Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989 , p. 1241 - 1252
  • Route2
    • null|null
      544-92-3
    • 4-Bromo-3-methylisothiazole|CS-0139679
      930-42-7
    • ~%
    • In-stock
      3-Methylisothiazole-4-carbonitrile|CS-0152706
      58850-81-0

    References

    • Journal of the Chemical Society, , p. 2032 - 2039

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   36.68
  • LogP   1.3232
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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