4-Fluoro-2-nitrobenzamide

Base Information

• Chemical Name: 4-Fluoro-2-nitrobenzamide
• CAS No.: 106754-80-7
• Molecular Formula: C7H5FN2O3
• Molecular Weight: 184.127
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90544660
• Wikidata: Q82421856
• Mol file: 106754-80-7.mol

Synonyms:4-FLUORO-2-NITROBENZAMIDE;106754-80-7;MFCD04108565;BUTTPARK 89\07-47;SCHEMBL404749;DTXSID90544660;AKOS006295407;AS-58421;SY198259;CS-0150067;D82639;EN300-212374

Chemical Property of 4-Fluoro-2-nitrobenzamide

Chemical Property:

• PSA: 88.91000
• LogP: 2.05630
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 184.02842019
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-nitrobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)N

Technology Process of 4-Fluoro-2-nitrobenzamide

There total 5 articles about 4-Fluoro-2-nitrobenzamide 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: 73.0%

4-fluoro-2-nitrobenzonitrile (80517-21-1) → 4-fluoro-2-nitrobenzamide (106754-80-7)

Guidance literature:

With sulfuric acid; at 90 - 110 ℃; for 6h;

Reference yield: 64.3%

4-Fluoro-2-nitrobenzoic acid chloride (57750-82-0) → 4-fluoro-2-nitrobenzamide (106754-80-7)

Guidance literature:

With ammonium hydroxide; In water;

DOI:10.1248/cpb.36.2955

Reference yield:

4-fluoro-2-nitrobenzoic acid (394-01-4) → 4-fluoro-2-nitrobenzamide (106754-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / benzene / 3.5 h / Heating

2: 64.3 percent / 28percent aq. NH₃ / H₂O

With ammonium hydroxide; thionyl chloride; In water; benzene;

DOI:10.1248/cpb.36.2955

upstream raw materials:

4-fluoro-2-nitrobenzonitrile

4-Fluoro-2-nitrobenzoic acid chloride

4-fluoro-2-nitrobenzoic acid

2-nitro-4-fluoroaniline

Downstream raw materials:

4-fluoro-2-nitrobenzoic acid

4-fluoroanthranilamide

4-fluoroanthranilic acid

7-fluoro-2-phenylquinazolin-4(3Η)-one