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CS-W001157 4
Total: USD 88.00

3-Fluoro-2-nitrobenzoic acid

  • CAS No. 1000339-51-4

  • Cat. No. CS-W001183
  • Molecule weight185.11
  • Purity≥95%
  • MDL No.MFCD07368342

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

3-Fluoro-2-nitrobenzoic acid|CS-W001183

Structure of 1000339-51-4

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General Information

  • CAS No. 1000339-51-4
  • Cat. No. CS-W001183
  • Purity ≥95%
  • MDL No. MFCD07368342
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO₄
  • Molecular Weight 185.11
  • Synonym(s) 3-Fluoro-2-nitrobenzoicacid
  • SMILES [O-][N+](=O)c1c(F)cccc1C(=O)O

Description

3-Fluoro-2-nitrobenzoic acid features a fluorine atom at the meta position and a nitro group at the ortho position relative to the carboxylic acid, creating a highly electron-deficient aromatic system. This combination enhances reactivity in nucleophilic substitution and facilitates coupling reactions under mild conditions. The molecule exhibits excellent bench stability and solubility in common organic solvents, enabling straightforward handling in synthetic workflows.

Application

3-Fluoro-2-nitrobenzoic acid serves as a versatile building block for the synthesis of substituted heterocycles and bioactive scaffolds. Its ortho-nitro and fluoro groups enable directed functionalization, while the carboxylic acid facilitates coupling reactions. The compound exhibits good bench stability and tolerates a range of reaction conditions, making it well-suited for medicinal chemistry and process development 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   80.44
  • LogP   1.4321
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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