Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)[N+]([O-])=O
InChI
InChIKey=ZPTVNYMJQHSSEA-UHFFFAOYSA-N
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
P-nitrotoluene is an organic compound with the formula CH3C6H4NO2. It is mainly used to prepare dyes. Intermediate for drugs namely Para Amino Benzoic Acid, Benzocaine, Procaine Hydrochloride, Thioacetazone, Folic Acid etc. used in TNT- an intermediate for explosive. p-Nitrotoluene is used to synthesize agricultural and rubber chemicals, azo and sulfur dyes, and dyes for cotton, wool, silk, leather, and paper.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Fluorescent polymer sensor array for detection and discrimination of explosives in water. | 2010-12-01 |
|
| Molecular-imprinted polymer extraction combined with dispersive liquid-liquid micro-extractionfor ultra-preconcentration of mononitrotoluene. | 2010-12 |
|
| Phenothiazine-based oligomers as novel fluorescence probes for detecting vapor-phase nitro compounds. | 2010-10-15 |
|
| Applications of femtochemistry to proteomic and metabolomic analysis. | 2010-09-30 |
|
| Synthesis and preliminary evaluation of peptidomimetic inhibitors of human beta-secretase. | 2010-05 |
|
| Naphthyl methacrylate-based monolithic column for RP-CEC via hydrophobic and pi interactions. | 2010-03 |
|
| Simultaneous Raman spectroscopy-laser-induced breakdown spectroscopy for instant standoff analysis of explosives using a mobile integrated sensor platform. | 2010-02-15 |
|
| Supercritical carbon dioxide, a new medium for aerobic alcohol oxidations catalysed by copper-TEMPO. | 2010-01-21 |
|
| Interaction mechanisms of organic contaminants with burned straw ash charcoal. | 2010 |
|
| p-Nitrobenzyl protection for cysteine and selenocysteine: a more stable alternative to the acetamidomethyl group. | 2010 |
|
| Synthetic biology: tools to design, build, and optimize cellular processes. | 2010 |
|
| Solid-state dendrimer sensors: probing the diffusion of an explosive analogue using neutron reflectometry. | 2009-11-03 |
|
| Reconstructing the evolutionary history of nitrotoluene detection in the transcriptional regulator NtdR. | 2009-11 |
|
| Degradation of nitroaromatic compounds: a model to study evolution of metabolic pathways. | 2009-11 |
|
| Monte Carlo simulations of binary mixtures of nitrotoluene isomers with n-decane. | 2009-10-22 |
|
| 1-(2-Methyl-5-nitro-phenyl)guanidinium picrate. | 2009-10-17 |
|
| Design of a bioreductively-activated fluorescent pH probe for tumor hypoxia imaging. | 2009-10-01 |
|
| The biosynthesis of palladium nanoparticles by antioxidants in Gardenia jasminoides Ellis: long lifetime nanocatalysts for p-nitrotoluene hydrogenation. | 2009-09-23 |
|
| A clean method for solvent-free nitration of toluene over sulfated titania promoted by ceria catalysts. | 2009-08-15 |
|
| 4-Nitro-benzyl 2-bromo-acetate. | 2009-06-06 |
|
| 4-Nitro-benzyl 2-chloro-acetate. | 2009-05-29 |
|
| Comparative study of the trypanocidal activity of the methyl 1-nitrophenyl-1,2,3,4-9H-tetrahydro-beta-carboline-3-carboxylate derivatives and benznidazole using theoretical calculations and cyclic voltammetry. | 2009-04 |
|
| Variability of nitrogen isotope fractionation during the reduction of nitroaromatic compounds with dissolved reductants. | 2008-11-15 |
|
| Enhanced sorption of naphthalene and nitroaromatic compounds to bentonite by potassium and cetyltrimethylammonium cations. | 2008-10-01 |
|
| Hydrogenation of nitrotoluene using palladium supported on chitosan hollow fiber: catalyst characterization and influence of operative parameters studied by experimental design methodology. | 2008-07-01 |
|
| Fluorescence quenching of CdSe quantum dots by nitroaromatic explosives and their relative compounds. | 2008-07 |
|
| Preparation and characterization of technetium and rhenium tricarbonyl complexes bearing the 4-nitrobenzyl moiety as potential bioreductive diagnostic radiopharmaceuticals. In vitro and in vivo studies. | 2008-04 |
|
| Evaluation of the 'side door' in carboxylesterase-mediated catalysis and inhibition. | 2008-02 |
|
| Identification of isomers of nitrotoluene via free electron attachment. | 2007-09-01 |
|
| The putative tumor suppressor Tsc-22 is downregulated early in chemically induced hepatocarcinogenesis and may be a suppressor of Gadd45b. | 2007-09 |
|
| Decomposition of dinitrotoluene isomers and 2,4,6-trinitrotoluene in spent acid from toluene nitration process by ozonation and photo-ozonation. | 2007-08-17 |
|
| Crystal structure of hyperthermophilic esterase EstE1 and the relationship between its dimerization and thermostability properties. | 2007-07-12 |
|
| Homogeneous liquid-liquid extraction of trace amounts of mononitrotoluenes from waste water samples. | 2007-06-26 |
|
| Degradation of p-nitrotoluene in aqueous solution by ozonation combined with sonolysis. | 2007-06-01 |
|
| Synthesis and evaluation of prodrugs for anti-angiogenic pyrrolylmethylidenyl oxindoles. | 2007-03-15 |
|
| Fluorescent CXCR4 chemokine receptor antagonists: metal activated binding. | 2007-01-28 |
|
| [Anticholinergic effect of 2-aminopyridine and its sulfonylcarbamide derivatives on electromechanical activity in guinea pig atrium]. | 2007 |
|
| Tautomerism in novel oxocorrologens. | 2007 |
|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Search space mapping: getting a picture of coherent laser control. | 2006-10-12 |
|
| Effects of possible endocrine disrupting chemicals on bacterial component-induced activation of NF-kappaB. | 2006-10 |
|
| Theory and application of dissociative electron capture in molecular identification. | 2006-04-06 |
|
| Nitrobenzylcarbamate prodrugs of cytotoxic acridines for potential use with nitroreductase gene-directed enzyme prodrug therapy. | 2006-04-01 |
|
| Biomarkers of exposure, effect, and susceptibility in workers exposed to nitrotoluenes. | 2006-03 |
|
| Active site residues controlling substrate specificity in 2-nitrotoluene dioxygenase from Acidovorax sp. strain JS42. | 2005-10 |
|
| Cancer of the urinary bladder in highly exposed workers in the production of dinitrotoluenes: a case report. | 2005-09 |
|
| Aminocyclodextrins to facilitate the deprotonation of 4-tert-butyl-alpha-nitrotoluene. | 2005-08-21 |
|
| Mineralization of dinitrotoluenes and trinitrotoluene of spent acid in toluene nitration process by Fenton oxidation. | 2005-08 |
|
| Qualitative analysis of trace constituents by ion mobility increment spectrometer. | 2003-11-04 |
|
| Comparative toxicities of o-, m-, and p-nitrotoluene in 13-week feed studies in F344 rats and B6C3F1 mice. | 1994-04 |
Patents
Sample Use Guides
2-YEAR STUDY IN RATS: Groups of 50 male and 50 female rats were fed diets containing 0, 1,250, 2,500, or 5,000 ppm p-nitrotoluene (equivalent to average daily doses of approximately 55, 110, or 240 mg p-nitrotoluene/kg body weight to males and 60, 125, or 265 mg/kg to females) for 105 or 106 weeks.
2-YEAR STUDY IN MICE: Groups of 50 male and 50 female mice were fed diets containing 0, 1,250, 2,500, or 5,000 ppm p-nitrotoluene (equivalent to average daily doses of approximately 170, 345, or 690 mg/kg to males and 155, 315, or 660 mg/kg to females) for 105 or 106 weeks.
Route of Administration:
Oral
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:15:19 GMT 2025
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| Record UNII |
E88IMG14EX
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| Record Status |
Validated (UNII)
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