2-Fluoro-N-Methyl-5-nitroaniline Chemical Properties

Boiling point:

270.3±30.0 °C(Predicted)

Density 

1.361±0.06 g/cm3(Predicted)

pka

2.12±0.25(Predicted)

InChI

InChI=1S/C7H7FN2O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4,9H,1H3

InChIKey

YWKHWTYJUYVMND-UHFFFAOYSA-N

SMILES

C1(NC)=CC([N+]([O-])=O)=CC=C1F

Safety Information

HS Code 

2921490090

2-Fluoro-N-Methyl-5-nitroaniline Usage And Synthesis

Uses

2-Fluoro-N-Methyl-5-nitroaniline can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical and pharmaceutical production process.

Synthesis

2-fluoro-5-nitroaniline (20.0g, 128.2mmol) and paraformaldehyde (16.0g, 533.3mmol) was dissolved in 500mL of methanol then stirred at room temperature. Then added dropwise NaOMe (3.4g, 63mmol) in methanol 100mL. The reaction was stirred at room temperature for 16 hours then was added NaBH4 (9.7g, 255.2mmol) in two aliquots, stirred for 15 minutes. LCMS traced the reaction. After completion of the reaction was poured into 1M KOH aqueous solution, and stirred to precipitate a solid. Filtered to give a yellow solid 2-fluoro-N-methyl-5-nitroaniline (19.0g, 87% yield).