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3-Nitrobenzoic acid

Base Information Edit
  • Chemical Name:3-Nitrobenzoic acid
  • CAS No.:121-92-6
  • Molecular Formula:C7H5NO4
  • Molecular Weight:167.121
  • Hs Code.:2916.39 LD50 orl-mus 1450 mg/kg
  • European Community (EC) Number:204-508-5
  • NSC Number:9801
  • UNII:H318ZW7612
  • DSSTox Substance ID:DTXSID0025737
  • Nikkaji Number:J469.522D,J2.491K
  • Wikipedia:3-Nitrobenzoic_acid
  • Wikidata:Q4634183
  • ChEMBL ID:CHEMBL274839
  • Mol file:121-92-6.mol
3-Nitrobenzoic acid

Synonyms:3-nitrobenzoic acid;3-nitrobenzoic acid, sodium salt;meta-nitrobenzoate

Suppliers and Price of 3-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
  • m-NitrobenzoicAcid
  • 50g
  • $ 130.00
  • TCI Chemical
  • 3-Nitrobenzoic Acid >99.0%(GC)(T)
  • 25g
  • $ 15.00
  • TCI Chemical
  • 3-Nitrobenzoic Acid >99.0%(GC)(T)
  • 500g
  • $ 54.00
  • SynQuest Laboratories
  • 3-Nitrobenzoic acid
  • 5 kg
  • $ 112.00
  • SynQuest Laboratories
  • 3-Nitrobenzoic acid
  • 1 kg
  • $ 48.00
  • SynQuest Laboratories
  • 3-Nitrobenzoic acid
  • 500 g
  • $ 32.00
  • Sigma-Aldrich
  • 3-Nitrobenzoic acid ReagentPlus , 99%
  • 5g
  • $ 26.20
  • Sigma-Aldrich
  • 3-Nitrobenzoic acid ReagentPlus , 99%
  • 100g
  • $ 31.00
  • Sigma-Aldrich
  • 3-Nitrobenzoic acid for synthesis. CAS No. 121-92-6, EC Number 204-508-5., for synthesis
  • 8006450250
  • $ 31.00
  • Sigma-Aldrich
  • 3-Nitrobenzoic acid for synthesis
  • 250 g
  • $ 29.69
Total 191 raw suppliers
Chemical Property of 3-Nitrobenzoic acid Edit
Chemical Property:
  • Appearance/Colour:light yellow crystals 
  • Vapor Pressure:3.26E-05mmHg at 25°C 
  • Melting Point:139-142 °C 
  • Refractive Index:1.6280 (estimate) 
  • Boiling Point:340.7 °C at 760 mmHg 
  • PKA:3.47(at 25℃) 
  • Flash Point:157.5 °C 
  • PSA:83.12000 
  • Density:1.468 g/cm3 
  • LogP:1.81620 
  • Storage Temp.:Storage temperature: no restrictions. 
  • Solubility.:water: soluble3g/L at 25°C 
  • Water Solubility.:<0.01 g/100 mL at 18℃ 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:1
  • Exact Mass:167.02185764
  • Heavy Atom Count:12
  • Complexity:198
Purity/Quality:

99.0% min *data from raw suppliers

m-NitrobenzoicAcid *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi,HarmfulXn 
  • Hazard Codes:Xn,Xi 
  • Statements: 22-36/37-33-36/37/38 
  • Safety Statements: 26-24/25 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
  • Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
  • General Description 3-Nitrobenzoic acid (or m-nitrobenzoic acid) is a key precursor in the synthesis of copper(II) complexes, where it acts as a carboxylate ligand (3-O2Nbz) facilitating supramolecular dimer formation through hydrogen bonding. In such complexes, it contributes to structural organization and magnetic exchange pathways, as evidenced by antiferromagnetic interactions observed in systems where its carboxylate group participates in hydrogen-bonded networks. This highlights its role in mediating spin–spin interactions in coordination chemistry.
Technology Process of 3-Nitrobenzoic acid

There total 344 articles about 3-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:
3-nitro-benzaldehyde; With potassium hydroxide; In water; at 20 ℃;
With hydrogenchloride; In water;
DOI:10.1080/00397910902916049
Guidance literature:
With methanol; sodium tetrahydroborate; In tetrahydrofuran; for 1h; Ambient temperature;
DOI:10.1055/s-1987-28035
Guidance literature:
With dihydrogen peroxide; calcium chloride; at 65 ℃; for 48h; Reagent/catalyst;
DOI:10.1016/j.tetlet.2014.01.111
Refernces Edit

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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