Home Nitro Compounds 121-92-6
121-92-6,MFCD00007251
Catalog No.:AA003JQE

121-92-6 | 3-Nitrobenzoic acid

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Purity
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25g
98%
in stock  
$15.00   $11.00
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100g
98%
in stock  
$18.00   $13.00
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500g
98%
in stock  
$23.00   $16.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003JQE
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
Properties
Properties
 
BP:
340.7 °C at 760 mmHg  
Form:
Solid  
MP:
139-141 °C  
Refractive Index:
1.6280 (estimate)  
Solubility:
water: soluble3g/L at 25°C  
Storage:
Keep in dry area;Room Temperature;  

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

Title: N-(3-Nitro-benzo-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

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

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101

Title: 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: Journal of the American Chemical Society 20110817

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

Journal: Talanta 20110215

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

Journal: Applied microbiology and biotechnology 20110201

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

Journal: Acta crystallographica. Section E, Structure reports online 20110201

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

Journal: Journal of forensic sciences 20110101

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

Journal: Acta crystallographica. Section E, Structure reports online 20110101

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

Journal: Research in pharmaceutical sciences 20110101

Title: 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.

Journal: Acta crystallographica. Section C, Crystal structure communications 20101201

Title: 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.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

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

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: Guanidinium 3-nitro-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: Guanidinium 2-phenyl-acetate.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

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

Journal: Experimental neurology 20100401

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

Journal: Acta crystallographica. Section E, Structure reports online 20100301

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

Journal: International journal of biological sciences 20100101

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

Journal: Acta crystallographica. Section E, Structure reports online 20091201

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

Journal: Acta crystallographica. Section E, Structure reports online 20091101

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

Journal: Acta crystallographica. Section E, Structure reports online 20090801

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

Journal: Acta crystallographica. Section E, Structure reports online 20090701

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

Journal: Journal of the American Chemical Society 20090527

Title: Imidazolium 3-nitro-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

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

Journal: Acta crystallographica. Section E, Structure reports online 20090301

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

Journal: Analytica chimica acta 20090223

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

Journal: Acta crystallographica. Section E, Structure reports online 20090201

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

Journal: Journal of environmental sciences (China) 20090101

Title: 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: Journal of the American Chemical Society 20081105

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

Journal: Journal of chromatography. A 20070302

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

Journal: Biochemistry 20061121

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

Journal: Dalton transactions (Cambridge, England : 2003) 20060914

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

Journal: Water research 20050901

Title: 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: Journal of medicinal chemistry 20050505

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

Journal: The Journal of organic chemistry 20050218

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

Journal: Water research 20050201

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

Journal: Chemical communications (Cambridge, England) 20031221

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

Journal: Analytical and bioanalytical chemistry 20030401

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

Journal: Acta crystallographica. Section C, Crystal structure communications 20030301

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

Journal: Acta crystallographica. Section C, Crystal structure communications 20010901

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

Journal: Inorganic chemistry 20010702

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