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CS-W001157 4
Total: USD 88.00

3-Methylisothiazole-5-carboxylic acid

  • CAS No. 66975-83-5

  • Cat. No. CS-0454781
  • Purity≥98%
  • MDL No.None

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

3-Methylisothiazole-5-carboxylic acid|CS-0454781

Structure of 66975-83-5

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General Information

  • CAS No. 66975-83-5
  • Cat. No. CS-0454781
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₂S
  • Molecular Weight 143.16
  • Synonym(s) 3-Methyl-1,2-thiazole-5-carboxylic acid
  • SMILES CC1=NSC(=C1)C(=O)O

Synthesis

  • Route1
    • 3-Methylisothiazole-5-carbonitrile|CS-0317614
      57352-00-8
    • ~85%
    • 3-Methylisothiazole-5-carboxylic acid|CS-0454781
      66975-83-5

    References

    • Mitsui Toatsu Chemicals, Incorporated Patent: US5240951 A1, 1993 ;
  • Route2
    • 3-Methyl-1,2-thiazole-5-carbaldehyde|CS-0236368
      88511-32-4
    • ~%
    • 3-Methylisothiazole-5-carboxylic acid|CS-0454781
      66975-83-5

    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-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   50.19
  • LogP   1.14972
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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