Home Halogens Benzene, 1-chloro-4-nitro-

Benzene, 1-chloro-4-nitro-

CAS No.:
100-00-5
Catalog Number:
AG000063
Molecular Formula:
C6H4ClNO2
Molecular Weight:
157.5545
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$56
- +
500g
>98.0%(GC)
1 week
United States
$74
- +
Product Description
Catalog Number:
AG000063
Chemical Name:
Benzene, 1-chloro-4-nitro-
CAS Number:
100-00-5
Molecular Formula:
C6H4ClNO2
Molecular Weight:
157.5545
MDL Number:
MFCD00007285
IUPAC Name:
1-chloro-4-nitrobenzene
InChI:
InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChI Key:
CZGCEKJOLUNIFY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-809-6
UNII:
CVL66U249D
NSC Number:
9792
RTECS Number:
CZ1050000
UN Number:
1578
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.993g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.553g/mol
Monoisotopic Mass:
156.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Effect of H2 on reductive transformation of p-ClNB in a combined ZVI-anaerobic sludge system. Water research 20121201
Detection of trace nitroaromatic isomers using indium tin oxide electrodes modified using β-cyclodextrin and silver nanoparticles. Analytical chemistry 20121016
Ultrasonic-assisted water extraction and solvent bar microextraction followed by gas chromatography-ion trap mass spectrometry for determination of chlorobenzenes in soil samples. Journal of chromatography. A 20120921
1-(Biphenyl-4-ylcarbon-yl)-3-(2-chloro-4-nitro-phen-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20120501
Solvent-free selective hydrogenation of chloronitrobenzene to chloroaniline over a robust Pt/Fe3O4 catalyst. Chemical communications (Cambridge, England) 20120325
In situ hydrothermal grown silicalite-1 coating for solid-phase microextraction. Analytical chemistry 20120306
Cyclodextrin induced switch between heterolytic and homolytic dediazoniation mechanisms. Journal of colloid and interface science 20120215
[Kinetic study of 4-chloronitrobenzene degradation by zero-valent iron]. Huan jing ke xue= Huanjing kexue 20120201
Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise. BMC microbiology 20120101
The organic contamination survey and health risk assessment of 16 source water reservoirs in Haihe River basin. Water science and technology : a journal of the International Association on Water Pollution Research 20120101
Metabolism of 2-chloro-4-nitrophenol in a gram negative bacterium, Burkholderia sp. RKJ 800. PloS one 20120101
Effect of calcination temperature on the catalytic activity of nanosized TiO(2) for ozonation of trace 4-chloronitrobenzene. Water science and technology : a journal of the International Association on Water Pollution Research 20120101
Congested ferrocenyl polyphosphanes bearing electron-donating or electron-withdrawing phosphanyl groups: assessment of metallocene conformation from NMR spin couplings and use in palladium-catalyzed chloroarenes activation. Inorganic chemistry 20111121
Degradation p-chloronitrobenzene in ozone-loaded system with perfluorodecalin solvent. Bulletin of environmental contamination and toxicology 20110901
Bioreduction of para-chloronitrobenzene in drinking water using a continuous stirred hydrogen-based hollow fiber membrane biofilm reactor. Journal of hazardous materials 20110830
A probable hydrogen-bonded Meisenheimer complex: an unusually high S(N)Ar reactivity of nitroaniline derivatives with hydroxide ion in aqueous media. The Journal of organic chemistry 20110805
Hydrogenation of p-chloronitrobenzene over nanostructured-carbon-supported ruthenium catalysts. ChemSusChem 20110718
Effects of common dissolved anions on the reduction of para-chloronitrobenzene by zero-valent iron in groundwater. Water science and technology : a journal of the International Association on Water Pollution Research 20110101
Effective degradation of para-chloronitrobenzene through a sequential treatment using zero-valent iron reduction and Fenton oxidation. Water science and technology : a journal of the International Association on Water Pollution Research 20110101
Photodegradation of 4-chloronitrobenzene in the presence of aqueous titania suspensions in different gas atmospheres. Water science and technology : a journal of the International Association on Water Pollution Research 20110101
Hydrothermal synthesis of TiO2 hollow microspheres for the photocatalytic degradation of 4-chloronitrobenzene. Journal of hazardous materials 20101215
2,2'-(4-{[(E)-4-Meth-oxy-benzyl-idene]amino}-phenyl-imino)-diethanol. Acta crystallographica. Section E, Structure reports online 20100801
[Effect of surfactant on the evaporation of p-chloronitrobenzene and naphthalene in the turbulent process]. Huan jing ke xue= Huanjing kexue 20100701
4-[(E)-({4-[Bis-(2-hy-droxy-eth-yl)amino]-phen-yl}imino)-meth-yl]phenol. Acta crystallographica. Section E, Structure reports online 20100701
Noncrystalline NiPB nanotubes for hydrogenation of p-chloronitrobenzene. Chemical communications (Cambridge, England) 20100407
Dechlorination/detoxification of aromatic chlorides using fly ash under mild conditions. Waste management (New York, N.Y.) 20091201
The feasibility of enhanced soil washing of p-nitrochlorobenzene (pNCB) with SDBS/Tween80 mixed surfactants. Journal of hazardous materials 20091030
Ozone enhanced activity of aqueous titanium dioxide suspensions for photodegradation of 4-chloronitrobenzene. Journal of hazardous materials 20090815
Effect of mixed anions (HCO3(-) -SO4(2-)-ClO4 on granular iron (Fe(0)) reactivity. Environmental science & technology 20090801
1-(2-Chloro-5-nitro-phen-yl)-3-(2,2-di-methyl-propion-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20090801
Aqueous p-chloronitrobenzene decomposition induced by contact glow discharge electrolysis. Journal of hazardous materials 20090730
Development and assessment of a rate equation for chemical transformations in reactive porous media. Environmental science & technology 20090601
Degradation and detoxification of disperse dye Scarlet RR by Galactomyces geotrichum MTCC 1360. Journal of microbiology and biotechnology 20090401
4-(4-Nitro-phenoxy)biphen-yl. Acta crystallographica. Section E, Structure reports online 20090401
Bioaugmentation of a 4-chloronitrobenzene contaminated soil with Pseudomonas putida ZWL73. Environmental pollution (Barking, Essex : 1987) 20090301
Application of nitroarene dioxygenases in the design of novel strains that degrade chloronitrobenzenes. Microbial biotechnology 20090301
Isomerization reactions on single adsorbed molecules. Accounts of chemical research 20090217
Proteomic and molecular investigation on the physiological adaptation of Comamonas sp. strain CNB-1 growing on 4-chloronitrobenzene. Biodegradation 20090201
Bending a bond within an individual adsorbed molecule. Journal of the American Chemical Society 20090121
Chirality change of chloronitrobenzene on Au(111) induced by inelastic electron tunneling. Angewandte Chemie (International ed. in English) 20090101
[Simultaneous remediation of Cr (VI) and p-NCB by nanosacle iron]. Huan jing ke xue= Huanjing kexue 20090101
Mid-infrared sensing of organic pollutants in aqueous environments. Sensors (Basel, Switzerland) 20090101
Substituent effect on electronic structures of halonitrobenzenes. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215
Variability of nitrogen isotope fractionation during the reduction of nitroaromatic compounds with dissolved reductants. Environmental science & technology 20081115
(E)-N'-(2-Chloro-5-nitro-benzyl-idene)-4-methoxy-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20081101
Abiotic reduction of nitroaromatic contaminants by iron(II) complexes with organothiol ligands. Environmental toxicology and chemistry 20080601
Application of surface complexation modeling to the reactivity of iron(II) with nitroaromatic and oxime carbamate contaminants in aqueous TiO2 suspensions. Journal of colloid and interface science 20080515
Layered material gamma-ZrP supported platinum catalyst for liquid-phase reaction: a highly active and selective catalyst for hydrogenation of the nitro group in para-chloronitrobenzene. Chemical communications (Cambridge, England) 20080507
Orientational disorder in 4-chloronitrobenzene. Acta crystallographica. Section C, Crystal structure communications 20080501
Kinetics and mechanism of degradation of p-chloronitrobenzene in water by ozonation. Journal of hazardous materials 20080415
Exclusive production of chloroaniline from chloronitrobenzene over Au/TiO2 and Au/Al2O3. ChemSusChem 20080101
1-(2-Methoxy-ethoxy)-4-nitro-benzene. Acta crystallographica. Section E, Structure reports online 20080101
[Effect and mechanism of removal of trace p-chloronitrobenzene in aqueous solution by ZnOOH/O3]. Huan jing ke xue= Huanjing kexue 20071101
A novel deaminase involved in chloronitrobenzene and nitrobenzene degradation with Comamonas sp. strain CNB-1. Journal of bacteriology 20070401
Electron induced ortho-meta isomerization of single molecules. Physical review letters 20070316
Ethoxylation of p-chloronitrobenzene using phase-transfer catalysts by ultrasound irradiation: a kinetic study. Ultrasonics sonochemistry 20070301
The development of novel organically modified sol-gel media for use with ATR/FTIR sensing. The Analyst 20070301
An instrument to investigate femtochemistry on metal surfaces in real space. The Review of scientific instruments 20070301
Plant-microbe association for rhizoremediation of chloronitroaromatic pollutants with Comamonas sp. strain CNB-1. Environmental microbiology 20070201
[Synthesis and bioactivity of N- [4- ( benzimidazole-2-thio) phenyl] -N'-alkyl guanidine derivatives]. Yao xue xue bao = Acta pharmaceutica Sinica 20070201
Urinary metabolites and health effects in workers exposed chronically to chloronitrobenzene. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20070101
[Estimation of bioconcentration factor of benzene derivatives]. Ying yong sheng tai xue bao = The journal of applied ecology 20061201
Submolecular imaging of chloronitrobenzene isomers on Cu(111). The Journal of chemical physics 20061114
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Characterization of genes involved in the initial reactions of 4-chloronitrobenzene degradation in Pseudomonas putida ZWL73. Applied microbiology and biotechnology 20061101
Plasmid-mediated degradation of 4-chloronitrobenzene by newly isolated Pseudomonas putida strain ZWL73. Applied microbiology and biotechnology 20061001
Structure relationship of nitrochlorobenzene catalytic degradation process in water over palladium-iron bimetallic catalyst. Journal of Zhejiang University. Science. B 20060701
Kinetic and microscopic studies of reductive transformations of organic contaminants on goethite. Environmental science & technology 20060515
Selective terminal heck arylation of vinyl ethers with aryl chlorides: a combined experimental-computational approach including synthesis of betaxolol. The Journal of organic chemistry 20060512
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Abiotic reduction of nitroaromatic compounds by aqueous iron(ll)-catechol complexes. Environmental science & technology 20060501
Novel partial reductive pathway for 4-chloronitrobenzene and nitrobenzene degradation in Comamonas sp. strain CNB-1. Applied and environmental microbiology 20060301
Catalytic amination and dechlorination of para-nitrochlorobenzene (p-NCB) in water over palladium-iron bimetallic catalyst. Chemosphere 20060201
Thirteen-week oral toxicity of para- and ortho- chloronitrobenzene in rats and mice. The Journal of toxicological sciences 20060201
Internal exposure, health effects, and cancer risk of humans exposed to chloronitrobenzene. Environmental science & technology 20060101
Carcinogenicity and chronic toxicity of para-chloronitrobenzene in rats and mice by two-year feeding. Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20060101
Novosphingobium taihuense sp. nov., a novel aromatic-compound-degrading bacterium isolated from Taihu Lake, China. International journal of systematic and evolutionary microbiology 20050501
Major anion effects on the kinetics and reactivity of granular iron in glass-encased magnet batch reactor experiments. Environmental science & technology 20050315
Selective adsorption of p-chloronitrobenzene from aqueous mixture of p-chloronitrobenzene and o-chloronitrobenzene using HZSM-5 zeolite. Water research 20050301
A novel 2-aminophenol 1,6-dioxygenase involved in the degradation of p-chloronitrobenzene by Comamonas strain CNB-1: purification, properties, genetic cloning and expression in Escherichia coli. Archives of microbiology 20050101
[Three cases of acute p-nitrochlorobenzene poisoning]. Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases 20040601
[Synthesis and spectral characterization of 4-amino-4'-chlorobenzophenone]. Guang pu xue yu guang pu fen xi = Guang pu 20040501
Reactivity of Fe(II)-bearing minerals toward reductive transformation of organic contaminants. Environmental science & technology 20040201
Heterogeneity of CD80 gene transcription by human keratinocytes to allergens and irritants: relevance to allergic contact dermatitis in vivo. Journal of applied toxicology : JAT 20040101
Ab initio evaluation of intramolecular electron transfer reactions in halobenzenes and stabilized derivatives. The Journal of organic chemistry 20031128
Identification of DNA adducts using HPLC/MS/MS following in vitro and in vivo experiments with arylamines and nitroarenes. Chemical research in toxicology 20031001
Diaphorobacter nitroreducens gen nov, sp nov, a poly(3-hydroxybutyrate)-degrading denitrifying bacterium isolated from activated sludge. The Journal of general and applied microbiology 20021201
In vitro nephrotoxicity induced by chloronitrobenzenes in renal cortical slices from Fischer 344 rats. Toxicology letters 20020324
Structure-activity relationships for chemical and glutathione S-transferase-catalysed glutathione conjugation reactions of a series of 2-substituted 1-chloro-4-nitrobenzenes. The Biochemical journal 19961201
Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes. Xenobiotica; the fate of foreign compounds in biological systems 19960201
Subchronic inhalation toxicity of p-nitroaniline and p-nitrochlorobenzene in rats. Fundamental and applied toxicology : official journal of the Society of Toxicology 19860501
Properties