121-92-6 | 3-Nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
25g	99%	in stock	$14.00	$10.00
100g	99%	in stock	$25.00	$18.00
250g	99%	in stock	$55.00	$39.00
1kg	99%	in stock	$85.00	$59.00
5kg	99%	in stock	$285.00	$200.00
10kg	99%	in stock	$515.00	$361.00
25kg	99%	in stock	$1,219.00	$853.00

Description

• Catalog Number: AB65442
• Chemical Name: 3-Nitrobenzoic acid
• CAS Number: 121-92-6
• Molecular Formula: C7H5NO4
• Molecular Weight: 167.1189
• MDL Number: MFCD00007251
• SMILES: OC(=O)c1cccc(c1)[N+](=O)[O-]
• NSC Number: 9801

Computed Properties

• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.8

Literature

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  Acta crystallographica. Section E, Structure reports online 20120501

• Influence of alkaline earth metals on molecular structure of 3-nitrobenzoic acid in comparison with alkali metals effect.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101

• Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction.

  Journal of the American Chemical Society 20110817

• CdSe quantum dots capped PAMAM dendrimer nanocomposites for sensing nitroaromatic compounds.

  Talanta 20110215

• Nitroreductase activity of ferredoxin reductase BphA4 from Dyella ginsengisoli LA-4 by catalytic and structural properties analysis.

  Applied microbiology and biotechnology 20110201

• 2,2'-(p-Phenyl-ene)bis-(4,5-dihydro-1H-imidazol-3-ium) bis-(3-nitro-benzoate).

  Acta crystallographica. Section E, Structure reports online 20110201

• Discriminating Hodgdon Pyrodex(®) and Triple Seven(®) using gas chromatography-mass spectrometry.

  Journal of forensic sciences 20110101

• Poly[bis-(μ(2)-4,4'-bipyridine)-bis-(3-nitro-benzoato)nickel(II)].

  Acta crystallographica. Section E, Structure reports online 20110101

• Synthesis of some new tricyclic 4(3H)-quinazolinone derivatives.

  Research in pharmaceutical sciences 20110101

• Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid.

  Acta crystallographica. Section C, Crystal structure communications 20101201

• Diaqua-bis-(3-nitro-benzoato-κO)bis-[1H-5-(3-pyrid-yl)-3-(4-pyrid-yl)-1H-1,2,4-triazole-κN]cobalt(II) dihydrate.

  Acta crystallographica. Section E, Structure reports online 20101201

• catena-Poly[[silver(I)-μ-4-aminopyridine] perchlorate]: a 1-D staircase coordination polymer.

  Acta crystallographica. Section E, Structure reports online 20101001

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  Acta crystallographica. Section E, Structure reports online 20100801

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  Acta crystallographica. Section E, Structure reports online 20100801

• Mitochondrial-dependent apoptosis in Huntington's disease human cybrids.

  Experimental neurology 20100401

• 4,4'-Bipyridine-3-nitro-benzoic acid (1/2).

  Acta crystallographica. Section E, Structure reports online 20100301

• Microbial and bioconversion production of D-xylitol and its detection and application.

  International journal of biological sciences 20100101

• Bis[1-(isopropyl-ideneamino)guanidinium] bis-(3-nitro-benzoate) monohydrate.

  Acta crystallographica. Section E, Structure reports online 20091201

• Poly[bis-(μ(2)-4,4'-bipyridine)bis-(3-nitro-benzoato)cobalt(II)].

  Acta crystallographica. Section E, Structure reports online 20091101

• Bis(3-hydroxy-pyridine-κN)bis-(3-nitro-benzoato-κO)zinc(II).

  Acta crystallographica. Section E, Structure reports online 20090801

• 3-Nitro-benzoic acid-3-methyl-4-nitro-pyridine 1-oxide (1/1).

  Acta crystallographica. Section E, Structure reports online 20090701

• Enantioselective carbonyl reverse prenylation from the alcohol or aldehyde oxidation level employing 1,1-dimethylallene as the prenyl donor.

  Journal of the American Chemical Society 20090527

• Imidazolium 3-nitro-benzoate.

  Acta crystallographica. Section E, Structure reports online 20090501

• 2,2'-Diamino-4,4'-bi-1,3-thia-zolium bis-(3-nitro-benzoate).

  Acta crystallographica. Section E, Structure reports online 20090301

• Microwave-assisted double insert vapour-phase digestion of organic samples.

  Analytica chimica acta 20090223

• Poly[(3-nitro-benzoato)(μ(3)-1,2,4-triazolato)cobalt(II)].

  Acta crystallographica. Section E, Structure reports online 20090201

• Microwave photocatalytic degradation of Rhodamine B using TiO2 supported on activated carbon: mechanism implication.

  Journal of environmental sciences (China) 20090101

• Enantioselective iridium-catalyzed carbonyl allylation from the alcohol or aldehyde oxidation level via transfer hydrogenative coupling of allyl acetate: departure from chirally modified allyl metal reagents in carbonyl addition.

  Journal of the American Chemical Society 20081105

• Determination of mannitol and sorbitol in infusion solutions by capillary zone electrophoresis using on-column complexation with borate and indirect spectrophotometric detection.

  Journal of chromatography. A 20070302

• Probing the chemical steps of nitroalkane oxidation catalyzed by 2-nitropropane dioxygenase with solvent viscosity, pH, and substrate kinetic isotope effects.

  Biochemistry 20061121

• Nitro-functionalization and luminescence quantum yield of Eu(III) and Tb(III) benzoic acid complexes.

  Dalton transactions (Cambridge, England : 2003) 20060914

• Effect of long-term exposure, biogenic substrate presence, and electron acceptor conditions on the biodegradation of multiple substituted benzoates and phenolates.

  Water research 20050901

• Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

  Journal of medicinal chemistry 20050505

• Short synthesis of skeleton-modified cyclodextrin derivatives with unique inclusion ability.

  The Journal of organic chemistry 20050218

• Biomass characteristics in three sequencing batch reactors treating a wastewater containing synthetic organic chemicals.

  Water research 20050201

• A facile synthesis of novel cyclodextrin derivatives incorporating one beta-(1,4)-glucosidic bond and their unique inclusion ability.

  Chemical communications (Cambridge, England) 20031221

• Influence of the nature of the pasting liquid on the accumulation of nitroanilines at carbon paste electrode during determination by absorptive stripping voltammetry.

  Analytical and bioanalytical chemistry 20030401

• Polymeric structure of (ethylenediamine)silver(I) 3-nitrobenzoate monohydrate.

  Acta crystallographica. Section C, Crystal structure communications 20030301

• Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids.

  Acta crystallographica. Section C, Crystal structure communications 20010901

• Toward designed assembly of microporous coordination networks constructed from silver(I)-hexamethylenetetramine layers.

  Inorganic chemistry 20010702