Home Nitro Compounds 99-99-0
99-99-0,MFCD00007366
Catalog No.:AA00366E

99-99-0 | 4-Nitrotoluene

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25g
>99.0%(GC)
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500g
>99.0%(GC)
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00366E
Chemical Name:
4-Nitrotoluene
CAS Number:
99-99-0
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00007366
SMILES:
Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
9579
UN Number:
1664
Properties
Properties
 
BP:
238.3°C  
Form:
Solid  
MP:
52-54 °C(lit.)  
Refractive Index:
1.5382  
Solubility:
0.26g/l  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
122  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
2.4  

Literature

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Title: Characterization of molecular recognition of phosphoinositide-3-kinase α inhibitor through molecular dynamics simulation.

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Title: Selective response of mesoporous silicon to adsorbants with nitro groups.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120305

Title: Optimization of supercritical fluid extraction combined with dispersive liquid-liquid microextraction as an efficient sample preparation method for determination of 4-nitrotoluene and 3-nitrotoluene in a complex matrix.

Journal: Talanta 20120115

Title: Theoretical investigations of α,α,α-trifluoro-3, -p and o-nitrotoluene by means of density functional theory.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120101

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Title: MDM2-p53 protein-protein interaction inhibitors: a-ring substituted isoindolinones.

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Title: Evolution of a new bacterial pathway for 4-nitrotoluene degradation.

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Title: Removal of dinitrotoluenes and trinitrotoluene from industrial wastewater by ultrasound enhanced with titanium dioxide.

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Title: Water-soluble alkylated bis{4'-(4-pyridyl)-2,2':6',2''-terpyridine}ruthenium(II) complexes for use as photosensitizers in water oxidation: a complementary experimental and TD-DFT investigation.

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Title: A new prodrug-derived ratiometric fluorescent probe for hypoxia: high selectivity of nitroreductase and imaging in tumor cell.

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Title: A novel magnetic biochar efficiently sorbs organic pollutants and phosphate.

Journal: Bioresource technology 20110101

Title: Site-directed mutagenesis of mouse glutathione transferase P1-1 unlocks masked cooperativity, introduces a novel mechanism for 'ping pong' kinetic behaviour, and provides further structural evidence for participation of a water molecule in proton abstraction from glutathione.

Journal: The FEBS journal 20110101

Title: Analysis of common and specific mechanisms of liver function affected by nitrotoluene compounds.

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Journal: Journal of pharmacy & bioallied sciences 20110101

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Title: Molecular-imprinted polymer extraction combined with dispersive liquid-liquid micro-extractionfor ultra-preconcentration of mononitrotoluene.

Journal: Journal of separation science 20101201

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Journal: Analytical chemistry 20101201

Title: Phenothiazine-based oligomers as novel fluorescence probes for detecting vapor-phase nitro compounds.

Journal: Talanta 20101015

Title: Comment on: 'FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene' by S. Ramalingam et al., Spectrochemica Acta A 75 (2010) 1308-1314.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101001

Title: Applications of femtochemistry to proteomic and metabolomic analysis.

Journal: The journal of physical chemistry. A 20100930

Title: Stepwise oxygenations of toluene and 4-nitrotoluene by a fungal peroxygenase.

Journal: Biochemical and biophysical research communications 20100618

Title: Synthesis and preliminary evaluation of peptidomimetic inhibitors of human beta-secretase.

Journal: European journal of medicinal chemistry 20100501

Title: FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene.

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Title: Naphthyl methacrylate-based monolithic column for RP-CEC via hydrophobic and pi interactions.

Journal: Electrophoresis 20100301

Title: Simultaneous Raman spectroscopy-laser-induced breakdown spectroscopy for instant standoff analysis of explosives using a mobile integrated sensor platform.

Journal: Analytical chemistry 20100215

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Title: Synthetic biology: tools to design, build, and optimize cellular processes.

Journal: Journal of biomedicine & biotechnology 20100101

Title: p-Nitrobenzyl protection for cysteine and selenocysteine: a more stable alternative to the acetamidomethyl group.

Journal: Biopolymers 20100101

Title: Interaction mechanisms of organic contaminants with burned straw ash charcoal.

Journal: Journal of environmental sciences (China) 20100101

Title: Isolation and characterization of a 4-nitrotoluene-oxidizing enzyme from activated sludge by a metagenomic approach.

Journal: Microbes and environments 20100101

Title: Solid-state dendrimer sensors: probing the diffusion of an explosive analogue using neutron reflectometry.

Journal: Langmuir : the ACS journal of surfaces and colloids 20091103

Title: Degradation of nitroaromatic compounds: a model to study evolution of metabolic pathways.

Journal: Molecular microbiology 20091101

Title: Reconstructing the evolutionary history of nitrotoluene detection in the transcriptional regulator NtdR.

Journal: Molecular microbiology 20091101

Title: 1-(2-Methyl-5-nitro-phenyl)guanidinium picrate.

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

Title: Monte Carlo simulations of binary mixtures of nitrotoluene isomers with n-decane.

Journal: The journal of physical chemistry. B 20091022

Title: Design of a bioreductively-activated fluorescent pH probe for tumor hypoxia imaging.

Journal: Bioorganic & medicinal chemistry 20091001

Title: The biosynthesis of palladium nanoparticles by antioxidants in Gardenia jasminoides Ellis: long lifetime nanocatalysts for p-nitrotoluene hydrogenation.

Journal: Nanotechnology 20090923

Title: A clean method for solvent-free nitration of toluene over sulfated titania promoted by ceria catalysts.

Journal: Journal of hazardous materials 20090815

Title: 4-Nitro-benzyl 2-bromo-acetate.

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Title: 4-Nitro-benzyl 2-chloro-acetate.

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Title: 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.

Journal: European journal of medicinal chemistry 20090401

Title: Variability of nitrogen isotope fractionation during the reduction of nitroaromatic compounds with dissolved reductants.

Journal: Environmental science & technology 20081115

Title: Enhanced sorption of naphthalene and nitroaromatic compounds to bentonite by potassium and cetyltrimethylammonium cations.

Journal: Journal of hazardous materials 20081001

Title: Analysis of the volatile chemical markers of explosives using novel solid phase microextraction coupled to ion mobility spectrometry.

Journal: Journal of separation science 20080801

Title: Fluorescence quenching of CdSe quantum dots by nitroaromatic explosives and their relative compounds.

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Title: Hydrogenation of nitrotoluene using palladium supported on chitosan hollow fiber: catalyst characterization and influence of operative parameters studied by experimental design methodology.

Journal: International journal of biological macromolecules 20080701

Title: Reliable, rapid and simple voltammetric detection of urea nitrate explosive.

Journal: The Analyst 20080501

Title: 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.

Journal: European journal of medicinal chemistry 20080401

Title: Evaluation of the 'side door' in carboxylesterase-mediated catalysis and inhibition.

Journal: Biological chemistry 20080201

Title: The putative tumor suppressor Tsc-22 is downregulated early in chemically induced hepatocarcinogenesis and may be a suppressor of Gadd45b.

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Title: Identification of isomers of nitrotoluene via free electron attachment.

Journal: Analytical chemistry 20070901

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Journal: Journal of hazardous materials 20070817

Title: Homogeneous liquid-liquid extraction of trace amounts of mononitrotoluenes from waste water samples.

Journal: Analytica chimica acta 20070626

Title: Degradation of p-nitrotoluene in aqueous solution by ozonation combined with sonolysis.

Journal: Journal of hazardous materials 20070601

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Title: Efficient quenching of photoluminescence from functionalized single-walled carbon nanotubes by nitroaromatic molecules.

Journal: The journal of physical chemistry. B 20060727

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Title: A two-generation reproductive toxicity study of 4-nitrotoluene in rats.

Journal: The Journal of toxicological sciences 20051201

Title: Banana lectin is unique in its recognition of the reducing unit of 3-O-beta-glucosyl/mannosyl disaccharides: a calorimetric study.

Journal: Glycobiology 20051001

Title: Active site residues controlling substrate specificity in 2-nitrotoluene dioxygenase from Acidovorax sp. strain JS42.

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Title: Mineralization of dinitrotoluenes and trinitrotoluene of spent acid in toluene nitration process by Fenton oxidation.

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Title: Biodegradation of phenol and phenol-related compounds by psychrophilic and cold-tolerant alpine yeasts.

Journal: Chemosphere 20050501

Title: Photocatalytic formation of a carbamate through ethanol-assisted carbonylation of p-nitrotoluene.

Journal: Chemical communications (Cambridge, England) 20050407

Title: Unique patterns of gene expression changes in liver after treatment of mice for 2 weeks with different known carcinogens and non-carcinogens.

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Title: Separation of positional isomers by cucurbit[7]uril-mediated capillary electrophoresis.

Journal: Electrophoresis 20041001

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Journal: Chembiochem : a European journal of chemical biology 20030606

Title: Structure-activity relationships for 4-nitrobenzyl carbamates of 5-aminobenz[e]indoline minor groove alkylating agents as prodrugs for GDEPT in conjunction with E. coli nitroreductase.

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Journal: Journal of molecular biology 20030328

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Journal: Toxicology 20030201

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Journal: Bioscience, biotechnology, and biochemistry 20020701

Title: Acute lethal toxicity of environmental pollutants to aquatic organisms.

Journal: Ecotoxicology and environmental safety 20020601

Title: Toxicology and carcinogenesis studies of p-nitrotoluene (CAS no. 99-99-0) in F344/N rats and B6C3F(1) mice (feed studies).

Journal: National Toxicology Program technical report series 20020501

Title: Photocatalytic degradation of nitrotoluene in aqueous TiO2 suspension.

Journal: Water research 20020101

Title: Influence of solution composition and column aging on the reduction of nitroaromatic compounds by zero-valent iron.

Journal: Chemosphere 20010801

Title: Practical synthesis of a 1beta-methylcarbapenem, J-111,225, using 4-mercapto-2-[4-(N-methylaminomethyl)phenyl]pyrrolidine as a precursor.

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Title: Rapid reductive destruction of hazardous organic compounds by nanoscale Fe0.

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Title: Electrochemical treatment of 2,4,6-trinitrotoluene and related compounds.

Journal: Environmental science & technology 20010115

Title: Engineering the active site of ascorbate peroxidase.

Journal: European journal of biochemistry 20010101

Title: Reactions involved in the lower pathway for degradation of 4-nitrotoluene by Mycobacterium strain HL 4-NT-1.

Journal: Applied and environmental microbiology 20000701

Title: A new 4-nitrotoluene degradation pathway in a Mycobacterium strain.

Journal: Applied and environmental microbiology 19980201

Title: Comparative toxicities of o-, m-, and p-nitrotoluene in 13-week feed studies in F344 rats and B6C3F1 mice.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology 19940401

Title: QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase.

Journal: Journal of medicinal chemistry 19920207

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