O-NITROTOLUENE

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

Structure Search

SMILES

CC1=C(C=CC=C1)[N+]([O-])=O

InChI

InChIKey=PLAZTCDQAHEYBI-UHFFFAOYSA-N

InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

HIDE SMILES / InChI

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

Approval Year

PubMed

Title	Date	PubMed
Degradation of nitroaromatic compounds: a model to study evolution of metabolic pathways.	2009-11	19818019
Optimization of dispersive liquid-liquid microextraction combined with gas chromatography for the analysis of nitroaromatic compounds in water.	2009-10-15	19635386
Sonochemical decomposition of dinitrotoluenes and trinitrotoluene in wastewater.	2009-09-30	19427119
Aromatic electron acceptors change the chirality dependence of single-walled carbon nanotube oxidation.	2009-09-15	19735124
Destruction of nitrotoluenes in wastewater by Electro-Fenton oxidation.	2009-09-15	19376645
A clean method for solvent-free nitration of toluene over sulfated titania promoted by ceria catalysts.	2009-08-15	19201530
Theoretical investigation of the excited states of 2-nitrobenzyl and 4,5-methylendioxy-2-nitrobenzyl caging groups.	2009-06-11	19508640
Metastable supramolecular polymer nanoparticles via intramolecular collapse of single polymer chains.	2009-05-27	19405473
Photoresponsive polymer brushes for hydrophilic patterning.	2009-02-03	19132832
Electrochemical destruction of dinitrotoluene isomers and 2,4,6-trinitrotoluene in spent acid from toluene nitration process.	2009-01-30	18511190
DNA ligation using photoremovable protecting groups.	2009	19749316
Caged quantum dots.	2008-11-26	18983148
Arraying heterotypic single cells on photoactivatable cell-culturing substrates.	2008-11-18	18925763
Substituted 2-nitrobenzyltrichloroacetate esters for photodirected oligonucleotide detritylation in solid films.	2008-09-21	18802634
Fluorescence detection and identification of tagging agents and impurities found in explosives.	2008-07	18935822
Decomposition of nitrotoluenes from trinitrotoluene manufacturing process by Electro-Fenton oxidation.	2008-06	18433833
Control of molecular fragmentation using shaped femtosecond pulses.	2008-05-01	18433144
Synthesis and photolytic activation of 6''-O-2-nitrobenzyl uridine-5'-diphosphogalactose: a 'caged' UDP-Gal derivative.	2008-04-07	18275942
Novel synthesis of alpha-PNA monomers by U-4CR.	2008-04	17497306
Novel aromatic ring-hydroxylating dioxygenase genes from coastal marine sediments of Patagonia.	2008-03-25	18366740
Photolytic control and infrared probing of amide I mode in the dipeptide backbone-caged with the 4,5-dimethoxy-2-nitrobenzyl group.	2008-02-21	18211054
The construction and in vitro testing of photo-activatable cancer targeting folated anti-CD3 conjugates.	2008-02-08	18068664
Photoprocesses of molecules with 2-nitrobenzyl protecting groups and caged organic acids.	2008-01-05	18173716
Studies of decarboxylation in photolysis of alpha-carboxy-2-nitrobenzyl (CNB) caged compounds.	2008-01	18167601
Synthesis and characterization of novel biodegradable poly(carbonate ester)s with photolabile protecting groups.	2008-01	18067260
Photocleavable linkage between genotype and phenotype for rapid and efficient recovery of nucleic acids encoding affinity-selected proteins.	2007-09-15	17767970
Identification of isomers of nitrotoluene via free electron attachment.	2007-09-01	17683163
The putative tumor suppressor Tsc-22 is downregulated early in chemically induced hepatocarcinogenesis and may be a suppressor of Gadd45b.	2007-09	17533171
Homogeneous liquid-liquid extraction of trace amounts of mononitrotoluenes from waste water samples.	2007-06-26	17560390
Biotinylated photocleavable polyethylenimine: capture and triggered release of nucleic acids from solid supports.	2007-04-17	17432825
Photodissociation dynamics of nitrobenzene and o-nitrotoluene.	2007-02-14	17313218
Supported bilayer lipid membrane arrays on photopatterned self-assembled monolayers.	2007	17611951
Controlled release of DNA/polyamine complex by photoirradiation of a solid phase presenting o-nitrobenzyl ether tethered spermine or polyethyleneimine.	2006-11-01	16931009
A novel and simplified procedure for patterning hydrophobic and hydrophilic SAMs for microfluidic devices by using UV photolithography.	2006-09-26	16981747
Spatiotemporal control of cell adhesion on a self-assembled monolayer having a photocleavable protecting group.	2006-09-18	17723700
Analysis of gene expression changes in relation to toxicity and tumorigenesis in the livers of Big Blue transgenic rats fed comfrey (Symphytum officinale).	2006-09-06	17118137
o-nitrobenzyl photolabile protecting groups with red-shifted absorption: syntheses and uncaging cross-sections for one- and two-photon excitation.	2006-09-06	16763952
Anisotropic three-dimensional peptide channels guide neurite outgrowth within a biodegradable hydrogel matrix.	2006-09	18458398
A computational study on the kinetics and mechanism for the unimolecular decomposition of o-nitrotoluene.	2006-08-24	16913688
Major carcinogenic pathways identified by gene expression analysis of peritoneal mesotheliomas following chemical treatment in F344 rats.	2006-07-15	16460773
Detection of explosives and explosives-related compounds by single photon laser ionization time-of-flight mass spectrometry.	2006-06-01	16737241
Formulation of photocleavable liposomes and the mechanism of their content release.	2006-05-07	16633565
Decarboxylation is a significant reaction pathway for photolabile calcium chelators and related compounds.	2006-01	16395435
Modulated drug release from the stem-and-loop structured oligodeoxynucleotide upon UV-A irradiation in the presence of target DNA.	2005-11-07	16240005
Light-regulated electrostatic interactions in colloidal suspensions.	2005-10-26	16231901
Effects of 4,5-dimethoxy groups on the time-resolved photoconversion of 2-nitrobenzyl alcohols and 2-nitrobenzaldehyde into nitroso derivatives.	2005-10	16189558
Active site residues controlling substrate specificity in 2-nitrotoluene dioxygenase from Acidovorax sp. strain JS42.	2005-10	16175409
Urinary metabolites of workers exposed to nitrotoluenes.	2005-08-16	16097390
Drug release from functionalized oligodeoxynucleotide by photo-induced electron transfer.	2004	17150487
Molecular recognition and self-assembled polymer films for vapor phase detection of explosives.	2001-05-10	18968269

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:52:12 GMT 2025` Edited by `admin` on `Mon Mar 31 18:52:12 GMT 2025`
Record UNII	6Q9N88YIAY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-NITROTOLUENE

Preferred Name

English

O-NITROTOLUENE

Common Name

English

1-METHYL-2-NITROBENZENE

Systematic Name

English

O-NITROTOLUENE [MI]

Common Name

English

O-METHYLNITROBENZENE

Common Name

English

NSC-9577

Code

English

UN-1664

Code

English

O-MONONITROTOLUENE

Common Name

English

2-NITROTOLUENE [IARC]

Common Name

English

TOLUENE, O-NITRO-

Common Name

English

2-METHYL-1-NITROBENZENE

Systematic Name

English

2-NITROTOLUENE [HSDB]

Common Name

English

NITROTOLUENE, 2-

Systematic Name

English

2-METHYLNITROBENZENE

Systematic Name

English

Code System Code Type Description

CAS

88-72-2