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CS-W001157 4
Total: USD 88.00

Methyl 3-fluoro-5-methoxy-4-nitrobenzoate

  • CAS No. 2386031-71-4

  • Cat. No. CS-0635836
  • Molecule weight229.16
  • Purity≥97%
  • MDL No.None

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

Methyl 3-fluoro-5-methoxy-4-nitrobenzoate|CS-0635836

Structure of 2386031-71-4

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General Information

  • CAS No. 2386031-71-4
  • Cat. No. CS-0635836
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈FNO₅
  • Molecular Weight 229.16
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC(OC)=C([N+]([O-])=O)C(F)=C1

Description

Methyl 3-fluoro-5-methoxy-4-nitrobenzoate features a trifunctional aromatic core with electron-withdrawing nitro and fluoro groups paired with a methoxy substituent. This combination imparts enhanced reactivity in cross-coupling processes and improved solubility in polar organic media. The ester functionality enables straightforward derivatization, making it a valuable intermediate for pharmaceutical and agrochemical synthesis under standard conditions.

Application

Methyl 3-fluoro-5-methoxy-4-nitrobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted aromatic scaffolds. The ortho-fluoro and meta-nitro groups facilitate selective nucleophilic aromatic substitution and subsequent reduction, while the methyl ester supports further functionalization. Its bench-stable nature and compatibility with standard coupling reactions make it well-suited for multi-step syntheses requiring precise regiocontrol.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   1.5291
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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