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CS-W001157 4
Total: USD 88.00

2-Nitro-4-(trifluoromethyl)aniline

  • CAS No. 400-98-6

  • Cat. No. CS-W015343
  • Purity≥98%
  • MDL No.MFCD00007155

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

2-Nitro-4-(trifluoromethyl)aniline|CS-W015343

Structure of 400-98-6

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General Information

  • CAS No. 400-98-6
  • Cat. No. CS-W015343
  • Purity ≥98%
  • MDL No. MFCD00007155
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃N₂O₂
  • Molecular Weight 206.12
  • Synonym(s) alpha,alpha,alpha-trifluoro-2-nitro-p-toluidine
  • SMILES NC1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O

Description

2-Nitro-4-(trifluoromethyl)aniline features a para-nitro group and a trifluoromethyl substituent on the aromatic ring, delivering enhanced electron deficiency and metabolic stability. This combination enables efficient incorporation into pharmaceutical intermediates and functional materials. The compound exhibits robust bench stability and facilitates direct coupling reactions under standard conditions.

Application

2-Nitro-4-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to functionalized aromatic scaffolds. Its dual electron-withdrawing nitro and trifluoromethyl groups enhance reactivity in nucleophilic substitution and facilitate directed metalation. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for multi-step synthetic sequences requiring precise functional group placement.

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.1958
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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