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CS-W001157 4
Total: USD 88.00

5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole

  • CAS No. 27116-80-9

  • Cat. No. CS-W005140
  • Purity≥97%
  • MDL No.None

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

5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole|CS-W005140

Structure of 27116-80-9

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General Information

  • CAS No. 27116-80-9
  • Cat. No. CS-W005140
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄F₃N₃O₂
  • Molecular Weight 195.10
  • Synonym(s) 5-Methyl-4-nitro-3-trifluoromethyl-1H-pyrazole
  • SMILES CC1=C([N+]([O-])=O)C(C(F)(F)F)=NN1

Description

This trifluoromethyl-substituted pyrazole features a nitro group at C4 and a methyl group at C5, creating a highly electron-deficient heterocyclic scaffold. The para-nitro and trifluoromethyl moieties enhance reactivity in transition-metal-catalyzed couplings, while the methyl group improves solubility and stability under standard conditions.

Application

5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical research. Its trifluoromethyl and nitro groups enable diverse functionalization, while the methyl substituent enhances metabolic stability. The molecule exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating efficient access to complex pyrazole-based scaffolds.

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

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   1.64512
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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