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CS-W001157 4
Total: USD 88.00

2-Fluoro-5-methoxy-4-nitrobenzoic acid

  • CAS No. 1001345-80-7

  • Cat. No. CS-0129996
  • Purity≥95%
  • MDL No.MFCD26395470

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

2-Fluoro-5-methoxy-4-nitrobenzoic acid|CS-0129996

Structure of 1001345-80-7

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General Information

  • CAS No. 1001345-80-7
  • Cat. No. CS-0129996
  • Purity ≥95%
  • MDL No. MFCD26395470
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₅
  • Molecular Weight None
  • Synonym(s) 2-fluoro-5-methoxy-4-nitro-benzoic acid
  • SMILES O=C(O)C1=CC(OC)=C([N+]([O-])=O)C=C1F

Description

This fluorinated benzoic acid derivative features a para-nitro group and an ortho-methoxy substituent, delivering enhanced electron-withdrawing character and tailored solubility. The 2-fluoro substitution enables selective functionalization in synthetic sequences, while the carboxylic acid moiety serves as a robust anchor for conjugation or derivatization under standard conditions.

Application

2-Fluoro-5-methoxy-4-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of fluorine, methoxy, and nitro functionalities into complex scaffolds. Its ortho-fluorine facilitates electrophilic substitution or nucleophilic aromatic substitution, while the carboxylic acid group supports amide formation, esterification, and coupling reactions. Bench-stable and readily purified by recrystallization, it functions efficiently in multi-step syntheses requiring precise regiocontrol and functional group compatibility.

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-H335-H319
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.4407
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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