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CS-W001157 4
Total: USD 88.00

2-Methyl-4-nitro-1-(trifluoromethyl)benzene

  • CAS No. 1960-52-7

  • Cat. No. CS-0144967
  • Purity≥97%
  • MDL No.MFCD11226539

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

2-Methyl-4-nitro-1-(trifluoromethyl)benzene|CS-0144967

Structure of 1960-52-7

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General Information

  • CAS No. 1960-52-7
  • Cat. No. CS-0144967
  • Purity ≥97%
  • MDL No. MFCD11226539
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 2-Methyl-4-nitrobenzotrifluoride
  • SMILES FC(C1=CC=C([N+]([O-])=O)C=C1C)(F)F

Description

2-Methyl-4-nitro-1-(trifluoromethyl)benzene features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the methyl and nitro substituents establish a strong electron-deficient aromatic core. This combination enables efficient coupling in cross-coupling reactions and facilitates incorporation into functional materials requiring high polarity and thermal resilience.

Application

2-Methyl-4-nitro-1-(trifluoromethyl)benzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of functionalized heterocycles via electrophilic substitution and transition-metal-catalyzed coupling reactions. Its trifluoromethyl and nitro groups confer enhanced metabolic stability and modulate electronic properties, while the methyl group provides a handle for further derivatization. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis workflows.

Safety Information

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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   43.14
  • LogP   2.92202
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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