4-Nitrophthalamide

Base Information

• Chemical Name: 4-Nitrophthalamide
• CAS No.: 13138-53-9
• Molecular Formula: C8H7N3O4
• Molecular Weight: 209.161
• European Community (EC) Number: 236-070-6
• NSC Number: 94821
• DSSTox Substance ID: DTXSID9065360
• Nikkaji Number: J317.826I
• Wikidata: Q72495913
• Mol file: 13138-53-9.mol

Synonyms:4-Nitrophthalamide;13138-53-9;4-Nitrophthaldiamide;4-nitrobenzene-1,2-dicarboxamide;1,2-Benzenedicarboxamide, 4-nitro-;EINECS 236-070-6;NSC 94821;1,2-Benzenedicarboxamide,4-nitro-;NSC94821;MFCD00052702;Maybridge1_003271;4-Nitrophthalamide, 99%;NCIOpen2_006090;SCHEMBL6398309;DTXSID9065360;HMS550M15;XWCDSCYRIROFIO-UHFFFAOYSA-;AMY28711;CCG-54715;NSC-94821;AKOS002376263;AKOS015916644;AKOS025395683;DS-2192;SB77420;AC-20363;CS-0075123;FT-0636809;N0647;O11274;SR-01000643795-1;W-108334;F1679-0143

Chemical Property of 4-Nitrophthalamide

Chemical Property:

• Vapor Pressure: 3.27E-07mmHg at 25°C
• Melting Point: 195 °C (dec.)(lit.)
• Refractive Index: 1.651
• Boiling Point: 418.496 °C at 760 mmHg
• Flash Point: 206.899 °C
• Density: 1.508 g/cm³
• Storage Temp.: room temp
• XLogP3: -0.4
• 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:

98% ^*data from raw suppliers

4-Nitrophthalamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)C(=O)N
• Uses: 4-Nitrophthalamide is a stain/dye. Dyes and metabolites.

Technology Process of 4-Nitrophthalamide

There total 8 articles about 4-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: 99.0%

4-nitrophthalimide (89-40-7) → 4-nitrophthalic amide (13138-53-9)

Guidance literature:

With ammonium hydroxide; 1.) 6 h, 2.) 0 deg C, 19 h;

Reference yield:

→ 4-nitrophthalic amide (13138-53-9)

Guidance literature:

With ammonium hydroxide;

Reference yield:

phthalimide (136918-14-4,85-41-6) → 4-nitrophthalic amide (13138-53-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid

2: ammonium hydroxide / water

With ammonium hydroxide; sulfuric acid; nitric acid; In water;

DOI:10.1142/S1088424614501028

upstream raw materials:

4-nitro-phthalic acid-1-methyl ester

4-nitrophthalimide

4-nitrophthalic acid chloride

4-nitrophthalic acid

Downstream raw materials:

2-amino-5-nitro-benzoic acid

4-Nitroanthranilic acid

4-Nitrophthalonitrile

4-[(4'-carboxy)phenylamino]phthalonitrile

Refernces

• 1、 Kahouech,Hriz,Touaiti,Bassem. "New anthracene-based-phtalocyanine semi-conducting materials: Synthesis and optoelectronic properties". . p. 144 - 154. Retrieved 2015/12/12.
• 2、 Oshima, Juro,Yoshihara, Toshitada,Tobita, Seiji. "Water-induced fluorescence quenching of mono- and dicyanoanilines". . p. 306 - 311. Retrieved 2008/02/13.