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CS-W001157 4
Total: USD 88.00

1-(Difluoromethyl)-4-nitro-1H-pyrazole

  • CAS No. 956477-64-8

  • Cat. No. CS-0085393
  • Purity≥98%
  • MDL No.MFCD04967412

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

1-(Difluoromethyl)-4-nitro-1H-pyrazole|CS-0085393

Structure of 956477-64-8

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General Information

  • CAS No. 956477-64-8
  • Cat. No. CS-0085393
  • Purity ≥98%
  • MDL No. MFCD04967412
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃F₂N₃O₂
  • Molecular Weight 163.08
  • Synonym(s) N-difluoroMenthyl-4-nitropyrazole
  • SMILES O=[N+](C1=CN(C(F)F)N=C1)[O-]

Description

1-(Difluoromethyl)-4-nitro-1H-pyrazole features a strategically positioned difluoromethyl group and electron-deficient nitro functionality, enabling direct incorporation into heterocyclic scaffolds. This bench-stable building block facilitates efficient access to fluorinated bioactive compounds through C–H functionalization or nucleophilic substitution pathways.

Application

1-(Difluoromethyl)-4-nitro-1H-pyrazole serves as a versatile building block for fluorinated heterocycles, enabling direct incorporation of both difluoromethyl and nitro functionalities into complex scaffolds. Its stability under standard synthetic conditions facilitates efficient transformations in medicinal chemistry and agrochemical research, particularly in C–H functionalization and cross-coupling processes. The molecule exhibits good solubility and ease of purification, supporting its use in multi-step synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335-H341
Precautionary Statements : P201-P202-P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P308+P313-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   1.1864
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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