3-Nitrophthalamide

Base Information

• Chemical Name: 3-Nitrophthalamide
• CAS No.: 96385-50-1
• Molecular Formula: C8H7 N3 O4
• Molecular Weight: 209.161
• Hs Code.: 2924299090
• European Community (EC) Number: 619-209-9
• DSSTox Substance ID: DTXSID90398221
• Nikkaji Number: J1.635.209H
• Wikidata: Q72495909
• Mol file: 96385-50-1.mol

Synonyms:3-Nitrophthalamide;96385-50-1;3-nitrophthaldiaMide;3-nitrobenzene-1,2-dicarboxamide;3-Nitro-phthalamide;SCHEMBL1315874;DTXSID90398221;3-nitro-benzene-1,2-dicarboxamide;AKOS002685616;AS-62066;FT-0699271;D96094;SR-01000407542;SR-01000407542-1

Chemical Property of 3-Nitrophthalamide

Chemical Property:

• Vapor Pressure: 8.52E-06mmHg at 25°C
• Melting Point: 217-220 ºC
• Refractive Index: 1.651
• Boiling Point: 374.1°Cat760mmHg
• Flash Point: 180.1°C
• PSA: 132.00000
• Density: 1.508 g/cm³
• LogP: 1.71640
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.04365571
• Heavy Atom Count: 15
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

3-Nitrophthalamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Nitrophthalamide

There total 7 articles about 3-Nitrophthalamide 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: 94.0%

3-nitrophthalic acid anhydride (641-70-3) → 3-nitrophthalamide (96385-50-1)

Guidance literature:

3-nitrophthalic acid anhydride; With ammonia; In water; at 0 - 60 ℃; for 12h;

With hydrogenchloride; In water;

Reference yield: 93.0%

4-nitro-1H-isoindole-1,3(2H)-dione (603-62-3) → 3-nitrophthalamide (96385-50-1)

Guidance literature:

With ammonium hydroxide; for 21h;

Reference yield:

3-nitro-phthalic acid-1-chloride-2-methyl ester (22351-62-8) → 3-nitrophthalamide (96385-50-1)

Guidance literature:

With ammonium hydroxide;

upstream raw materials:

4-nitro-1H-isoindole-1,3(2H)-dione

3-nitro-phthalic acid-1-chloride-2-methyl ester

acid chloride of 1-methylhydrogen-3-nitrophthalate

3-Nitrophthaloyl dichloride

Downstream raw materials:

6-nitroanthranilic acid

3-nitroanthranilic acid

2,3-diaminobenzoic acid methyl ester

methyl 3-nitroanthranilate

Refernces

• 1、 -. "XANTHINE OXIDASE INHIBITORS". Page 21. . Retrieved 2010/02/08.
• 2、 McClelland, Robert A.,Seaman, N. Esther,Duff, James M.,Branston, R. E.. "Kinetic and equilibrium in the ammonolysis of substituted phthalimides". . p. 121 - 128. Retrieved 2007/10/02.