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CS-W001157 4
Total: USD 88.00

3-Isopropyl-5-methyl-4H-[1,2,4]triazole

  • CAS No. 87268-63-1

  • Cat. No. CS-0062115
  • Molecule weight125.17
  • Purity≥95%
  • MDL No.None

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

3-Isopropyl-5-methyl-4H-[1,2,4]triazole|CS-0062115

Structure of 87268-63-1

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General Information

  • CAS No. 87268-63-1
  • Cat. No. CS-0062115
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁N₃
  • Molecular Weight 125.17
  • Synonym(s) 5-methyl-3-propan-2-yl-1H-1,2,4-triazole
  • SMILES N1=C(NC(=N1)C(C)C)C

Synthesis

  • Route1
    • 3-Ethyl-6-methyl-2-(1-methylethyl)-4(3H)-pyrimidinone|CS-1005130
      87268-60-8
    • ~94%
    • In-stock
      3-Isopropyl-5-methyl-4H-[1,2,4]triazole|CS-0062115
      87268-63-1

    References

    • Hirai, Yoshiro; Egawa, Hiroyuki; Yamada, Shoko; Yamazaki, Takao Heterocycles, 1983 , vol. 20, # 7 p. 1243 - 1246
  • Route2
    • null|null
      87268-59-5
    • ~96%
    • In-stock
      3-Isopropyl-5-methyl-4H-[1,2,4]triazole|CS-0062115
      87268-63-1

    References

    • Hirai, Yoshiro; Egawa, Hiroyuki; Yamada, Shoko; Yamazaki, Takao Heterocycles, 1983 , vol. 20, # 7 p. 1243 - 1246
  • Route3
    • null|null
      78-82-0
    • In-stock
      Acethydrazide|CS-D1403
      1068-57-1
    • ~%
    • In-stock
      3-Isopropyl-5-methyl-4H-[1,2,4]triazole|CS-0062115
      87268-63-1

    References

    • BASF Patent: DE1076136 , 1958 ;

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.23652
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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