2-Amino-4-nitrobenzamide

Base Information

• Chemical Name: 2-Amino-4-nitrobenzamide
• CAS No.: 31930-18-4
• Molecular Formula: C7H7N3O3
• Molecular Weight: 181.151
• Hs Code.: 2924299090
• European Community (EC) Number: 874-621-8
• DSSTox Substance ID: DTXSID80502971
• Wikidata: Q82356419
• Mol file: 31930-18-4.mol

Synonyms:2-Amino-4-nitrobenzamide;31930-18-4;2-amino-4-nitro-benzamide;SCHEMBL3150549;DTXSID80502971;FHIFCKSBNKKCJM-UHFFFAOYSA-N;AMY29021;MFCD07368613;AKOS006287479;AKOS025395567;CS-W018858;GS-3722;FT-0767933;ETHYL2-METHYL-4,4,4-TRIFLUOROCROTONATE;EN300-6745919;A875765;Z1198172202

Chemical Property of 2-Amino-4-nitrobenzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 222-224 °C
• Refractive Index: 1.676
• Boiling Point: 389.54 °C at 760 mmHg
• PKA: 14.79±0.50(Predicted)
• Flash Point: 189.388 °C
• PSA: 114.93000
• Density: 1.482 g/cm³
• LogP: 2.08060
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-nitrobenzamide ^*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-])N)C(=O)N

Technology Process of 2-Amino-4-nitrobenzamide

There total 6 articles about 2-Amino-4-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: 85.0%

4-Nitroanthranilic acid (619-17-0) → 2-amino-4-nitrobenzamide (31930-18-4)

Guidance literature:

With ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 20 ℃; for 15h;

DOI:10.1039/d0ob02234a

Reference yield: 43.0%

Novastat (3011-89-0) → 2-amino-4-nitrobenzamide (31930-18-4)

Guidance literature:

With copper(l) iodide; sodium azide; ethanol; caesium carbonate; N,N`-dimethylethylenediamine; at 20 - 95 ℃; Inert atmosphere; Sealed tube;

DOI:10.1021/jo100345t

Reference yield:

4-nitroisatoic anhydride (63480-10-4) → 2-amino-4-nitrobenzamide (31930-18-4)

Guidance literature:

With ammonium carbonate; In 1,4-dioxane; at 60 ℃;

DOI:10.1021/acs.jafc.5b01762

upstream raw materials:

2-amino-4-nitrobenzoyl chloride

4-Nitroanthranilic acid

2,4-dinitrobenzamide

Novastat

Downstream raw materials:

2-amino-4-nitro-benzonitrile

7-nitroquinazolin-4(3H)-one

2-(aminomethyl)-5-nitroaniline

2,3-dihydro-7-nitro-2-phenyl-4(1H)-quinazolinone