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p-Nitrobenzoic acid

Base Information Edit
  • Chemical Name:p-Nitrobenzoic acid
  • CAS No.:62-23-7
  • Deprecated CAS:29788-29-2
  • Molecular Formula:C7H5NO4
  • Molecular Weight:167.121
  • Hs Code.:2916.39 Oral rat LD50: 1960 mg/Kg
  • European Community (EC) Number:200-526-2
  • ICSC Number:1684
  • NSC Number:7707
  • UNII:G83NWR61OW
  • DSSTox Substance ID:DTXSID3020966
  • Nikkaji Number:J485.889A,J2.346I
  • Wikipedia:4-Nitrobenzoic_acid
  • Wikidata:Q2823227
  • Metabolomics Workbench ID:66939
  • ChEMBL ID:CHEMBL101263
  • Mol file:62-23-7.mol
p-Nitrobenzoic acid

Synonyms:Benzoicacid, p-nitro- (8CI);4-Nitrobenzoic acid;Nitrodracylic acid;p-Carboxynitrobenzene;p-Nitrobenzenecarboxylic acid;

Suppliers and Price of p-Nitrobenzoic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 4-Nitrobenzoic acid
  • 1kg
  • $ 275.00
  • TRC
  • 4-Nitrobenzoic acid
  • 250g
  • $ 155.00
  • TCI Chemical
  • 4-Nitrobenzoic Acid >99.0%(GC)(T)
  • 500g
  • $ 34.00
  • TCI Chemical
  • 4-Nitrobenzoic Acid >99.0%(GC)(T)
  • 25g
  • $ 15.00
  • Sigma-Aldrich
  • 4-Nitrobenzoic acid purum, ≥98.0% (HPLC)
  • 50g
  • $ 26.40
  • Sigma-Aldrich
  • 4-Nitrobenzoic acid for synthesis. CAS 62-23-7, chemical formula 4-(NO )C H COOH., for synthesis
  • 8006460100
  • $ 33.50
  • Sigma-Aldrich
  • 4-Nitrobenzoic acid for synthesis
  • 100 g
  • $ 32.10
  • Sigma-Aldrich
  • 4-Nitrobenzoic acid 98%
  • 250g
  • $ 30.70
  • Sigma-Aldrich
  • 4-Nitrobenzoic acid purum, ≥98.0% (HPLC)
  • 1kg
  • $ 64.50
  • Sigma-Aldrich
  • 4-Nitrobenzoic acid for synthesis. CAS 62-23-7, chemical formula 4-(NO )C H COOH., for synthesis
  • 8006460500
  • $ 45.80
Total 189 raw suppliers
Chemical Property of p-Nitrobenzoic acid Edit
Chemical Property:
  • Appearance/Colour:light yellow crystalline powder 
  • Vapor Pressure:8.78E-06mmHg at 25°C 
  • Melting Point:237-240 °C(lit.) 
  • Refractive Index:1.6280 (estimate) 
  • Boiling Point:359.1 °C at 760 mmHg 
  • PKA:3.41(at 25℃) 
  • Flash Point:166.5 °C 
  • PSA:83.12000 
  • Density:1.468 g/cm3 
  • LogP:1.81620 
  • Storage Temp.:Store below +30°C. 
  • Solubility.:0.42g/l 
  • Water Solubility.:<0.1 g/100 mL at 26℃ 
  • XLogP3:1.9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:1
  • Exact Mass:167.02185764
  • Heavy Atom Count:12
  • Complexity:190
Purity/Quality:

99.5% *data from raw suppliers

4-Nitrobenzoic acid *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes:Xn 
  • Statements: 22-41-36 
  • Safety Statements: 26-39-24/25 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
  • Canonical SMILES:C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
  • Inhalation Risk:A nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
  • Effects of Short Term Exposure:The substance is irritating to the eyes, respiratory tract and skin.
  • Effects of Long Term Exposure:Animal tests show that this substance possibly causes toxicity to human reproduction or development.
  • Uses 4-Nitrobenzoic Acid is used in the synthesis of anti-Trypanosoma cruzi agents in the treatment of chagas disease.
Technology Process of p-Nitrobenzoic acid

There total 794 articles about p-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:
Guidance literature:
With silica-supported selenamide; dihydrogen peroxide; In tert-butyl alcohol; at 55 ℃; for 20h;
Guidance literature:
With chromium(VI) oxide; periodic acid; In acetonitrile; at 20 ℃; for 1h;
DOI:10.1021/ol991175k
Guidance literature:
With sulfuric acid; dihydrogen peroxide; boric acid; In tetrahydrofuran; water; at 60 ℃; for 48h;
DOI:10.1080/00397919908086017
Refernces Edit

Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction

10.1021/acs.joc.0c00882

The study presents an organocatalytic cascade reaction for synthesizing spirocyclic benzothiophenones with multiple stereocenters. The key chemicals involved are 2-alkylidene benzo[b]thiophenone derivatives acting as Michael acceptors and enones as donors. The reaction is catalyzed by a primary amine derived from cinchonidine, with 4-nitrobenzoic acid used as an additive. The process efficiently produces spirobenzothiophenonic cyclohexane derivatives with high yields (88-96%), enantioselectivities (85-97% ee), and diastereoselectivities (approximately 14/2/1). The synthesized compounds, containing three stereocenters, are valuable for their potential applications in medicinal chemistry due to their interesting physiochemical properties and biological activities. The study also explores the scope and limitations of the method, demonstrating its applicability with various enones and benzothiophenone derivatives, and showcases the potential for further transformations of the spirocompounds.

Supramolecular dimer formation through hydrogen bond extensions of carboxylate ligands - Path for magnetic exchange

10.1016/j.poly.2009.06.056

The research investigates the formation of supramolecular dimers in copper(II) complexes through hydrogen bonding and their impact on magnetic properties. The study focuses on three copper(II) complexes: [Cu(3-O2Nbz)2(nia)(H2O)2] (1), [Cu(4O2Nbz)2(nia)2(H2O)2] (2), and [Cu(4-O2Nbz)2(nia)2]?(4-O2NbzH)2 (3), where 3-O2Nbz and 4-O2Nbz represent 3-nitrobenzoate and 4-nitrobenzoate anions, respectively, and nia represents nicotinamide. These chemicals play crucial roles in the formation of the complexes. The research involves the synthesis of these complexes using copper(II) acetate, nicotinamide, and either 3-nitrobenzoic acid or 4-nitrobenzoic acid. The structures of the complexes were determined through X-ray crystallography, revealing that complex (1) forms supramolecular dimers with strong hydrogen bonds between equatorially coordinated water molecules and uncoordinated carboxylate oxygen atoms, leading to antiferromagnetic interactions. The study provides experimental evidence that hydrogen bonds extended through carboxylate bridges can serve as pathways for spin–spin interactions, as demonstrated by the magnetic properties and EPR spectra of the complexes.

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