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CS-W001157 4
Total: USD 88.00

2-Fluoro-4-methyl-5-nitroaniline

  • CAS No. 259860-00-9

  • Cat. No. CS-0036870
  • Molecule weight170.14
  • Purity≥97%
  • MDL No.None

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

2-Fluoro-4-methyl-5-nitroaniline|CS-0036870

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General Information

  • CAS No. 259860-00-9
  • Cat. No. CS-0036870
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FN₂O₂
  • Molecular Weight 170.14
  • Synonym(s) 5-Chloro-4-fluoro-2-methylnitrobenzene
  • SMILES CC1=CC(=C(C=C1[N+](=O)[O-])N)F

Description

2-Fluoro-4-methyl-5-nitroaniline features a strategically positioned nitro group that enhances electrophilic reactivity, while the fluorine substituent imparts electron-withdrawing character and metabolic stability. The methyl group provides steric modulation and influences regioselectivity in coupling reactions. This compound serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals, particularly where electron-deficient aromatic systems are required.

Application

2-Fluoro-4-methyl-5-nitroaniline serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its electron-withdrawing nitro group and ortho-fluoro substituent facilitate directed metalation and subsequent functionalization. The compound exhibits good bench stability and compatibility with standard coupling reactions, simplifying purification and integration into multi-step syntheses.

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

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