2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene

Base Information

• Chemical Name: 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene
• CAS No.: 64695-92-7
• Molecular Formula: C8H6FNO4
• Molecular Weight: 199.138
• Hs Code.: 2916399090
• Mol file: 64695-92-7.mol

Synonyms:PC6925;4-Fluor-2-methyl-5-nitrobenzoesaeure;2-methyl-5-nitro-4-fluorobenzoic acid;2-Carboxy-5-fluoro-4-nitrotoluene;

Chemical Property of 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene

Chemical Property:

• Boiling Point: 377.0±42.0 °C(Predicted)
• PKA: 3.22±0.12(Predicted)
• PSA: 83.12000
• Density: 1.482±0.06 g/cm3(Predicted)
• LogP: 2.26370
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-2-methyl-5-nitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene

There total 3 articles about 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

4-fluoro-2-methylbenzoic acid (321-21-1) → 4-fluoro-2-methyl-5-nitrobenzoic acid (64695-92-7)

Guidance literature:

With nitric acid; sulfuric acid; at 0 ℃; for 0.75h;

Reference yield: 60.0%

4-fluoro-2-methylbenzoic acid (321-21-1) → 4-fluoro-2-methyl-5-nitrobenzoic acid (64695-92-7) + 4-fluoro-2-methyl-3-nitrobenzoic acid (1079991-68-6)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 20 ℃; for 6h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield:

m-Fluorotoluene (352-70-5) + acetyl chloride (75-36-5) → 4-fluoro-2-methyl-5-nitrobenzoic acid (64695-92-7)

Guidance literature:

Multistep reaction; (i) AlCl₃, (ii) HNO₃, H₂SO₄;

DOI:10.1135/cccc19772001

upstream raw materials:

m-Fluorotoluene

acetyl chloride

4-fluoro-2-methylbenzoic acid

Downstream raw materials:

5-amino-4-fluoro-2-methylbenzoic acid

C₈H₈FNO₃

2-methyl-4-{[2-(methyloxy)ethyl]amino}-5-nitrobenzoic acid

5-amino-2-methyl-4-{[2-(methyloxy)ethyl]amino}benzoic acid