Home Nitro Compounds 622-42-4
622-42-4,MFCD00053440
Catalog No.:AA019DAZ

622-42-4 | (Nitromethyl)benzene

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100mg
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1g
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA019DAZ
Chemical Name:
(Nitromethyl)benzene
CAS Number:
622-42-4
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00053440
SMILES:
[O-][N+](=O)Cc1ccccc1
NSC Number:
3439
Properties
Properties
 
BP:
226.0°C  
Form:
Liquid  
MP:
80.7 °C(Solv: ethanol (64-17-5))  
Refractive Index:
1.5323 (estimate)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
113  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.8  

Literature

Title: Structural analysis of isomeric europium(III) chelates of NB-DOTMA.

Journal: Inorganic chemistry 20120806

Title: CuproCleav-1, a first generation photocage for Cu+.

Journal: Chemical communications (Cambridge, England) 20120528

Title: Asymmetrical 2,6-bis(benzylidene)cyclohexanones: Synthesis, cytotoxic activity and QSAR study.

Journal: European journal of medicinal chemistry 20120401

Title: Investigating the CO2 uncaging mechanism of nitrophenylacetates by means of fs-IR spectroscopy and quantum chemical calculations.

Journal: Physical chemistry chemical physics : PCCP 20111014

Title: Influence of water on photophysical properties of N-bromobenzyl- or nitrobenzyl derivatives of substituted 4-hydroxystilbazolium hemicyanines.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20111001

Title: Analysis of the conformational behavior and stability of the SAP and TSAP isomers of lanthanide(III) NB-DOTA-type chelates.

Journal: Inorganic chemistry 20110905

Title: (±)-4a-(4-Nitro-benz-yl)-2,3,4,4a-tetra-hydro-1H-carbazole.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: One to chelate them all: investigation of a versatile, bifunctional chelator for 64Cu, 99mTc, Re and Co.

Journal: Dalton transactions (Cambridge, England : 2003) 20110621

Title: New ferrocenic pyrrolo[1,2-a]quinoxaline derivatives: synthesis, and in vitro antimalarial activity--Part II.

Journal: European journal of medicinal chemistry 20110601

Title: Kinetic study of proton-transfer reactions of phenylnitromethanes. Implication for the origin of nitroalkane anomaly.

Journal: The Journal of organic chemistry 20110520

Title: A general strategy for the synthesis of cyclic N-aryl hydroxamic acids via partial nitro group reduction.

Journal: The Journal of organic chemistry 20110506

Title: Inorganic-organic hybrid nanomaterials for therapeutic and diagnostic imaging applications.

Journal: International journal of molecular sciences 20110101

Title: Construction of endo-functionalized two dimensional metallacycles via coordination-driven self-assembly.

Journal: The Journal of organic chemistry 20091120

Title: Photoinduced release of Zn2+ with ZinCleav-1: a nitrobenzyl-based caged complex.

Journal: Inorganic chemistry 20090907

Title: RuBi-Glutamate: Two-Photon and Visible-Light Photoactivation of Neurons and Dendritic spines.

Journal: Frontiers in neural circuits 20090101

Title: DNA ligation using photoremovable protecting groups.

Journal: Nucleic acids symposium series (2004) 20090101

Title: Molecular self-assembly into one-dimensional nanostructures.

Journal: Accounts of chemical research 20081201

Title: (E)-1,5-Dimethyl-4-[3-(4-nitro-benz-yloxy)benzyl-ideneamino]-2-phenyl-1H-pyrazol-3(2H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: Synthesis and photolytic activation of 6''-O-2-nitrobenzyl uridine-5'-diphosphogalactose: a 'caged' UDP-Gal derivative.

Journal: Carbohydrate research 20080407

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: N,4-Dimethyl-N-(4-nitro-benz-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20080301

Title: Controlled disassembly of peptide amphiphile fibres.

Journal: Journal of peptide science : an official publication of the European Peptide Society 20080201

Title: Identification of small molecule inhibitors of Pseudomonas aeruginosa exoenzyme S using a yeast phenotypic screen.

Journal: PLoS genetics 20080201

Title: Identification of highly polar nitroaromatic compounds in leachate and ground water samples from a TNT-contaminated waste site by LC-MS, LC-NMR, and off-line NMR and MS investigations.

Journal: Analytical and bioanalytical chemistry 20071101

Title: Phosphinic derivative of DTPA conjugated to a G5 PAMAM dendrimer: an 17O and 1H relaxation study of its Gd(III) complex.

Journal: Dalton transactions (Cambridge, England : 2003) 20060728

Title: Photochemical hammerhead ribozyme activation.

Journal: Bioorganic & medicinal chemistry letters 20060515

Title: Supramolecular assembly of an amphiphilic Gd(III) chelate: tuning the reorientational correlation time and the water exchange rate.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20060111

Title: Towards the rational design of MRI contrast agents: a practical approach to the synthesis of gadolinium complexes that exhibit optimal water exchange.

Journal: Dalton transactions (Cambridge, England : 2003) 20051221

Title: Dramatically enhanced carbon acidity of the nitrobenzyl fragment in a nickel(II) scorpionate complex.

Journal: Organic letters 20050804

Title: Nitroarylmethylcarbamate prodrugs of doxorubicin for use with nitroreductase gene-directed enzyme prodrug therapy.

Journal: Bioorganic & medicinal chemistry 20050602

Title: A mild photoactivated hydrophilic/hydrophobic switch.

Journal: Langmuir : the ACS journal of surfaces and colloids 20050510

Title: Unusual collision-induced dissociation of fluorated and non-fluorated alpha-nitrotoluene analogs in a gas chromatograph triple-stage quadrupole mass spectrometer under electron-capturing negative-ion chemical ionization conditions.

Journal: Journal of chromatography. A 20050304

Title: Antituberculosis agents X. Synthesis and evaluation of in vitro antituberculosis activity of 2-(5-nitro-2-furyl)- and 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole derivatives.

Journal: Archives of pharmacal research 20040501

Title: Asymmetric nitroaldol reaction. Synthesis of taxotere side chain and (-)-bestatin using (1R)-8-phenylmenthyl glyoxylate.

Journal: The Journal of organic chemistry 20040416

Title: Model compounds of caged capsaicin: design, synthesis, and photoreactivity.

Journal: The Journal of organic chemistry 20031114

Title: GdIII complexes with fast water exchange and high thermodynamic stability: potential building blocks for high-relaxivity MRI contrast agents.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20030804

Title: New findings in the study on the intercalation of bisdaunorubicin and its monomeric analogues with naked and nucleus DNA.

Journal: Chemico-biological interactions 20030615

Title: Synthesis and flow cytometric evaluation of novel 1,2,3,4-tetrahydroisoquinoline conformationally constrained analogues of nitrobenzylmercaptopurine riboside (NBMPR) designed for probing its conformation when bound to the es nucleoside transporter.

Journal: Journal of medicinal chemistry 20030227

Title: Pathways of reductive fragmentation of heterocyclic nitroarylmethyl quaternary ammonium prodrugs of mechlorethamine.

Journal: Radiation research 20021201

Title: A caged sperm-activating peptide that has a photocleavable protecting group on the backbone amide.

Journal: FEBS letters 20020814

Title: An efficient nitration of light alkanes and the alkyl side-chain of aromatic compounds with nitrogen dioxide and nitric acid catalyzed by N-hydroxyphthalimide.

Journal: The Journal of organic chemistry 20020809

Title: Nitroreductase-based GDEPT.

Journal: Current pharmaceutical design 20020101

Title: Chemical modification of carbonaceous stationary phases by the reduction of diazonium salts.

Journal: Analytical chemistry 20010815

Title: Site-specific generation of deoxyribonolactone lesions in DNA oligonucleotides.

Journal: Organic letters 20010726

Title: Incorporation of caged cysteine and caged tyrosine into a transmembrane segment of the nicotinic ACh receptor.

Journal: American journal of physiology. Cell physiology 20010701

Title: Recent advances in bioreductive drug targeting.

Journal: Mini reviews in medicinal chemistry 20010501

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