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CS-W001157 4
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Methyl 3-fluoro-2-nitrobenzoate

  • CAS No. 1214353-57-7

  • Cat. No. CS-W005003
  • Purity≥97%
  • MDL No.MFCD11520393

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

Methyl 3-fluoro-2-nitrobenzoate|CS-W005003

Structure of 1214353-57-7

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General Information

  • CAS No. 1214353-57-7
  • Cat. No. CS-W005003
  • Purity ≥97%
  • MDL No. MFCD11520393
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₄
  • Molecular Weight None
  • Synonym(s) Methyl 3-fluoro-2-nitrobenzoat
  • SMILES O=C(OC)C1=CC=CC(F)=C1[N+]([O-])=O

Description

Methyl 3-fluoro-2-nitrobenzoate features a fluorinated aromatic ring flanked by electron-withdrawing nitro and ester groups, enabling selective functionalization in synthetic sequences. This bench-stable derivative serves as a key intermediate for bioactive molecule construction, particularly in medicinal chemistry applications requiring controlled reactivity.

Application

Methyl 3-fluoro-2-nitrobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via standard coupling and cyclization protocols. Its ortho-nitro and meta-fluoro functionalities provide complementary reactivity for sequential functionalization, while the methyl ester group supports reliable reduction or hydrolysis under mild conditions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput synthesis workflows.

Safety Information

Download SDS
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   69.44
  • LogP   1.5205
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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