4-Amino-2-nitrobenzoic acid

Base Information

• Chemical Name: 4-Amino-2-nitrobenzoic acid
• CAS No.: 610-36-6
• Molecular Formula: C7H6N2O4
• Molecular Weight: 182.136
• European Community (EC) Number: 674-598-2
• NSC Number: 202382,37403
• DSSTox Substance ID: DTXSID70284476
• Nikkaji Number: J79.727H
• Wikidata: Q72439967
• ChEMBL ID: CHEMBL3278351
• Mol file: 610-36-6.mol

Synonyms:4-amino-2-nitrobenzoic acid;610-36-6;4-amino-2-nitro-benzoic acid;Benzoic acid, 4-amino-2-nitro-;MFCD00189376;4-Amino-2-nitrobenzoicacid;NSC37403;Oprea1_781751;2-Nitro-4-aminobenzoic acid;SCHEMBL616178;4-amino-2-nitro benzoic acid;CHEMBL3278351;DTXSID70284476;SAJYSJVBNGUWJK-UHFFFAOYSA-N;BBL034741;NSC-37403;NSC202382;STK387108;AKOS001748586;AM83032;CS-W010748;NSC-202382;NCGC00341928-01;AS-13547;SY051252;BB 0258089;EU-0085290;FT-0617469;A20154;EN300-126530;AB01334797-02;SR-01000524002;SR-01000524002-1

Chemical Property of 4-Amino-2-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.5E-08mmHg at 25°C
• Melting Point: 239 °C
• Refractive Index: 1.681
• Boiling Point: 440.9 °C at 760 mmHg
• PKA: 2.84±0.25(Predicted)
• Flash Point: 220.4 °C
• PSA: 109.14000
• Density: 1.568 g/cm³
• LogP: 1.97960
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.03275668
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-2-nitrobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O

Technology Process of 4-Amino-2-nitrobenzoic acid

There total 14 articles about 4-Amino-2-nitrobenzoic 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: 57.0%

2,4-dinitrobenzoic acid (610-30-0) → 4-amino-2-nitrobenzoic acid (610-36-6)

Guidance literature:

With ammonium sulfide;

DOI:10.1016/0031-9422(95)00805-5

Reference yield:

4-acetylamino-6-nitro-isophthalic acid (342045-62-9) → 4-amino-2-nitrobenzoic acid (610-36-6) + 4-Nitroanthranilic acid (619-17-0)

Guidance literature:

Reference yield:

sulfuric acid (7664-93-9) + 4-acetylamino-6-nitro-isophthalic acid (342045-62-9) → 4-amino-2-nitrobenzoic acid (610-36-6) + 4-Nitroanthranilic acid (619-17-0)

Guidance literature:

upstream raw materials:

4-acetylamino-2-nitrotoluene

4-acetylamino-2-nitrobenzoic acid

2,4-dinitrobenzoic acid

ethanol

Downstream raw materials:

4-bromo-2-nitrobenzoic acid

1-tert-butyloxycarbonyl-4-trimethylstannyl-1,2,5,6-tetrahydropyridine

(E)-5-hydroxy-2-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]amino]benzoic acid

4-hydroxyanthranilic acid

Refernces

• 1、 -. "3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS". Page 561-562. . Retrieved 2008/06/13.
• 2、 Schmidt, Torsten C.,Steinbach, Klaus,Buetehorn, Ulf,Heck, Kerstin,Volkwein, Ute,Stork, Gottfried. "Synthesis of reference substances for highly polar metabolites of nitroaromatic compounds". . p. 3119 - 3130. Retrieved 2007/10/03.