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CS-W001157 4
Total: USD 88.00

4-Fluoro-2-methyl-5-nitroaniline

  • CAS No. 446-18-4

  • Cat. No. CS-0083167
  • Purity≥96%
  • MDL No.MFCD18824947

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

4-Fluoro-2-methyl-5-nitroaniline|CS-0083167

Structure of 446-18-4

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General Information

  • CAS No. 446-18-4
  • Cat. No. CS-0083167
  • Purity ≥96%
  • MDL No. MFCD18824947
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FN₂O₂
  • Molecular Weight None
  • Synonym(s) Benzenamine, 4-fluoro-2-methyl-5-nitro-
  • SMILES NC1=CC([N+]([O-])=O)=C(F)C=C1C

Description

4-Fluoro-2-methyl-5-nitroaniline features a trifunctional aromatic core with electron-withdrawing nitro and fluorine groups paired with a methyl substituent. This combination imparts enhanced reactivity in coupling reactions while maintaining stability under standard conditions, enabling efficient integration into complex molecular architectures.

Application

4-Fluoro-2-methyl-5-nitroaniline serves as a key intermediate in the synthesis of bioactive heterocycles and pharmaceutical scaffolds. Its fluorinated aryl core enables enhanced metabolic stability and membrane permeability, while the nitro group facilitates downstream reductions and coupling reactions. The methyl substituent provides steric control and directs electrophilic substitution. This compound exhibits bench-stable handling and tolerates diverse functional groups, making it a versatile building block for medicinal chemistry campaigns.

Synthesis

  • Route1

    References

    • DECIPHERA PHARMACEUTICALS, LLC Patent: WO2008/33999 A2, 2008 ; Location in patent: Page/Page column 91-92 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   1.62452
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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