Home Nitro Compounds 99-08-1
99-08-1,MFCD00007265
Catalog No.:AA0039KE

99-08-1 | 3-Nitrotoluene

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  • Technical Information
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Technical Information
Catalog Number:
AA0039KE
Chemical Name:
3-Nitrotoluene
CAS Number:
99-08-1
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00007265
SMILES:
Cc1cccc(c1)[N+](=O)[O-]
NSC Number:
9578
UN Number:
1664
Properties
Computed Properties
 
Complexity:
130  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
2.4  

Literature

Title: Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: synthesis and SAR study as tyrosine kinase c-Met inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20121015

Title: Steric effects on the catalytic activities of zinc(II) complexes containing [12]aneN3 ligating units in the cleavage of the RNA and DNA model phosphates.

Journal: Organic & biomolecular chemistry 20121014

Title: FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120401

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: Simultaneous determination of organic and cationic species in explosives residues with column-switching liquid chromatography-ion chromatography system.

Journal: Journal of chromatographic science 20110901

Title: Synthesis, characterization and spectral properties of substituted tetraphenylporphyrin iron chloride complexes.

Journal: Molecules (Basel, Switzerland) 20110406

Title: Evaluation of the dependence of aqueous solubility of nitro compounds on temperature and salinity: a COSMO-RS simulation.

Journal: Chemosphere 20110401

Title: Dynamics of highly excited nitroaromatics.

Journal: The journal of physical chemistry. A 20101223

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

Journal: Journal of separation science 20101201

Title: Electron predators are hydrogen atom traps. Effects of aryl groups on N-C(α) bond dissociations of peptide radicals.

Journal: Journal of mass spectrometry : JMS 20101101

Title: Evaporation and discharge dynamics of highly charged multicomponent droplets generated by electrospray ionization.

Journal: The journal of physical chemistry. A 20100128

Title: A fragment-based approach to probing adenosine recognition sites by using dynamic combinatorial chemistry.

Journal: Chembiochem : a European journal of chemical biology 20091123

Title: Probing the mechanism of electron capture and electron transfer dissociation using tags with variable electron affinity.

Journal: Journal of the American Chemical Society 20090422

Title: Femtosecond laser photoionization time-of-flight mass spectrometry of nitro-aromatic explosives and explosives related compounds.

Journal: Journal of the American Society for Mass Spectrometry 20090301

Title: Kinetics and thermodynamics of sorption of nitroaromatic compounds to as-grown and oxidized multiwalled carbon nanotubes.

Journal: Journal of colloid and interface science 20090201

Title: Electrochemical destruction of dinitrotoluene isomers and 2,4,6-trinitrotoluene in spent acid from toluene nitration process.

Journal: Journal of hazardous materials 20090130

Title: N-(3-Nitro-benzyl-idene)aniline.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Voltammetric Behavior of o-Nitrophenol and Damage to DNA.

Journal: International journal of molecular sciences 20080301

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

Journal: Analytica chimica acta 20070626

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.

Journal: Journal of molecular biology 20050520

Title: A review and assessment of hydrodynamic cavitation as a technology for the future.

Journal: Ultrasonics sonochemistry 20050101

Title: Urinary metabolites of workers exposed to nitrotoluenes.

Journal: Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20050101

Title: Two-dimensional correlation spectroscopy techniques applied to ion trap tandem mass spectrometric analysis: nitroaromatics.

Journal: Rapid communications in mass spectrometry : RCM 20050101

Title: Carbon isotope fractionation during cis-trans isomerization of unsaturated fatty acids in Pseudomonas putida.

Journal: Applied microbiology and biotechnology 20041201

Title: Synthesis and dynamic NMR study of ketenimines derived from tert-butyl isocyanide, alkyl 2-arylamino-2-oxo-acetates, and dialkyl acetylenedicarboxylates.

Journal: Molecular diversity 20040101

Title: Kinetics and mechanism of the aminolysis of methyl 4-nitrophenyl, methyl 2,4-dinitrophenyl, and phenyl 2,4-dinitrophenyl carbonates.

Journal: The Journal of organic chemistry 20021213

Title: 5'-substituted-6-carboxylic-2,2'-bipyridine acid: a pivotal architecton for building preorganized ligands.

Journal: The Journal of organic chemistry 20020531

Title: Photocatalytic degradation of nitrotoluene in aqueous TiO2 suspension.

Journal: Water research 20020101

Title: Theoretical study of the internal rotational barriers in nitrotoluenes, nitrophenols, and nitroanilines.

Journal: Computers & chemistry 20020101

Title: Quantitative detection of aromatic compounds in single aerosol particle mass spectrometry.

Journal: Analytical chemistry 20010515

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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