3-Nitrophthalimide

Base Information

• Chemical Name: 3-Nitrophthalimide
• CAS No.: 603-62-3
• Molecular Formula: C8H4N2O4
• Molecular Weight: 192.131
• Hs Code.: 29251900
• European Community (EC) Number: 210-051-2
• NSC Number: 5393
• UNII: NL6BP8BS7W
• DSSTox Substance ID: DTXSID3060532
• Nikkaji Number: J26.819D,J886.782H
• Wikidata: Q72495929
• Mol file: 603-62-3.mol

Synonyms:3-nitrophthalimide;DM 113;DM-113;DM113

Chemical Property of 3-Nitrophthalimide

Chemical Property:

• Appearance/Colour: yellow to straw-yellow crystalline powder
• Melting Point: 213-215 °C(lit.)
• Refractive Index: 1.657
• Boiling Point: 328.09°C (rough estimate)
• PKA: 8.13±0.20(Predicted)
• PSA: 91.99000
• Density: 1.609 g/cm³
• LogP: 1.33040
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 192.01710661
• Heavy Atom Count: 14
• Complexity: 309

Purity/Quality:

99.0% min ^*data from raw suppliers

3-Nitrophthalimide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O
• Uses: 3-Nitrophthalimide is a nitro heterocyclic compounds found to exhibit potential antifungal activities. 3-Nitrophthalimide is a nitro heterocyclic compounds found to exhibit potential antifungal activities. Dyes and metabolites.

Technology Process of 3-Nitrophthalimide

There total 22 articles about 3-Nitrophthalimide 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: 98.0%

3-nitrophthalic acid (603-11-2) → 4-nitro-1H-isoindole-1,3(2H)-dione (603-62-3)

Guidance literature:

With acetic acid; urea; at 117 ℃; for 3h;

Reference yield: 95.0%

3-nitrophthalic acid anhydride (641-70-3) → 4-nitro-1H-isoindole-1,3(2H)-dione (603-62-3)

Guidance literature:

With ammonium hydroxide; at 85 - 290 ℃; for 4h;

Reference yield: 92.0%

3-nitrobenzene-1,2-dicarbonitrile (51762-67-5) → 4-nitro-1H-isoindole-1,3(2H)-dione (603-62-3)

Guidance literature:

With 1,3-dimethyl-1H-imidazol-3-ium hydrogen carbonate; water; In ethanol; at 80 ℃; for 6h; chemoselective reaction; Catalytic behavior; Green chemistry;

DOI:10.1039/c2ra22868h

upstream raw materials:

ethanol

3-nitrophthalic acid anhydride

3-nitrophthalic acid

3-Nitrophthaloyl dichloride

Downstream raw materials:

2-anilinomethyl-4-nitro-isoindoline-1,3-dione

4-nitro-2-m-toluidinomethyl-isoindoline-1,3-dione

4-nitro-2-p-toluidinomethyl-isoindoline-1,3-dione

4-nitro-2-o-toluidinomethyl-isoindoline-1,3-dione