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Methyl 4-amino-2,3-difluoro-5-nitrobenzoate

  • CAS No. 284030-58-6

  • Cat. No. CS-M0257
  • Molecule weight232.14
  • Purity≥98%
  • MDL No.MFCD06201870

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

Methyl 4-amino-2,3-difluoro-5-nitrobenzoate|CS-M0257

Structure of 284030-58-6

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General Information

  • CAS No. 284030-58-6
  • Cat. No. CS-M0257
  • Purity ≥98%
  • MDL No. MFCD06201870
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂N₂O₄
  • Molecular Weight 232.14
  • Synonym(s) Methyl 4-amino-2,3-difluoro-5-nitro-benzoic acid
  • SMILES FC1=C(C(OC)=O)C=C([N+]([O-])=O)C(N)=C1F

Description

Methyl 4-amino-2,3-difluoro-5-nitrobenzoate features a strategically positioned amino group flanked by two fluorine atoms and a nitro substituent, enabling precise electronic tuning for synthetic applications. This electron-deficient aryl scaffold integrates readily into complex molecular architectures under standard conditions, offering enhanced reactivity in cross-coupling and functionalization workflows.

Application

Methyl 4-amino-2,3-difluoro-5-nitrobenzoate serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated heterocyclic scaffolds and bioactive intermediates. The molecule combines a nitro group for reduction to amine derivatives, a methyl ester for hydrolysis or coupling reactions, and two strategically positioned fluorine atoms that enhance metabolic stability and modulate electronic properties. Its bench-stable nature and compatibility with standard synthetic transformations make it well-suited for iterative synthesis workflows in API development.

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-H320-H335
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

  • TPSA   95.46
  • LogP   1.2418
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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