2-Amino-3,5-dinitrobenzoic acid

Base Information

• Chemical Name: 2-Amino-3,5-dinitrobenzoic acid
• CAS No.: 609-97-2
• Molecular Formula: C7H5N3O6
• Molecular Weight: 227.133
• Hs Code.: 2922499990
• European Community (EC) Number: 636-422-2
• DSSTox Substance ID: DTXSID801031438
• Nikkaji Number: J79.723E
• Mol file: 609-97-2.mol

Synonyms:2-amino-3,5-dinitrobenzoic acid;609-97-2;2-Amino-3,5-dinitro-benzoic acid;3,5-Dinitroanthanilic acid;3,5-dinitroanthranilic acid;SCHEMBL3888136;DTXSID801031438;MFCD00157004;STK366098;AKOS000668853;BB 0221244;CS-0251476;EN300-54862;SR-01000316782;SR-01000316782-1;Z816062746

Chemical Property of 2-Amino-3,5-dinitrobenzoic acid

Chemical Property:

• Melting Point: 268 °C
• Boiling Point: 478.4±45.0 °C(Predicted)
• PKA: 3.37±0.10(Predicted)
• PSA: 154.96000
• Density: 1.775±0.06 g/cm3(Predicted)
• LogP: 2.41100
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 227.01783489
• Heavy Atom Count: 16
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-3,5-dinitrobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2-Amino-3,5-dinitrobenzoic acid

There total 35 articles about 2-Amino-3,5-dinitrobenzoic acid 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: 97.0%

2-fluoro-3,5-dinitrobenzoic acid (445-65-8) → 2-amino-3,5-dinitro-benzoic acid (609-97-2)

Guidance literature:

With ammonium hydroxide; at 20 ℃; for 0.166667h;

DOI:10.1016/S0968-0896(03)00059-2

Reference yield: 95.0%

2-chloro-3,5-dinitrobenzoic acid (2497-91-8) → 2-amino-3,5-dinitro-benzoic acid (609-97-2)

Guidance literature:

With hydrogenchloride; ammonium hydroxide; for 0.5h; Heating;

DOI:10.1016/S0040-4020(99)00570-0

Reference yield: 86.0%

isatoic anhydride (118-48-9) → 2-amino-3,5-dinitro-benzoic acid (609-97-2)

Guidance literature:

isatoic anhydride; With sulfuric acid; potassium nitrate; at 60 ℃; for 0.5h;

With sulfuric acid; water; potassium nitrate; at 35 ℃; for 0.5h;

DOI:10.1016/S0040-4020(99)00570-0

upstream raw materials:

2-chloro-3,5-dinitrobenzoic acid

2-methoxy-3,5-dinitro-benzoic acid methyl ester

2-ethoxy-3,5-dinitro-benzoic acid ethyl ester

2,3,5-trinitro-benzoic acid

Downstream raw materials:

3,5-dinitrosalicylic acid

2,3,5-triamino-benzoic acid

2-amino-3,5-dinitro-benzoic acid methyl ester

2-amino-3,5-dinitro-benzoic acid ethyl ester

Refernces

• 1、 Bergman, Jan,Bergman, Solveig,Brimert, Thomas. "Syntheses of gem-dinitro heterocyclic compounds, their ring-opening reactions and transformations into indoles, indazoles and benzoxazinones". . p. 10447 - 10466. Retrieved 2007/10/03.