Home Carboxes 100-00-5
100-00-5,MFCD00007285
Catalog No.:AA00003B
100-00-5 | Benzene, 1-chloro-4-nitro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week  
$67.00
- +
500g
>98.0%(GC)
1 week  
$83.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00003B
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
Computed 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  

Synonyms
 
1-chloro-4-nitrobenzene 
4-chloronitrobenzene 
Benzene, 1-chloro-4-nitro- 
LS10621 
MCULE-9531704416 
NE10480 
RP22133 
TRA0056014 
1-chloro-4-nitrobenzene radical anion; 
NCGC00090707-01 
NCGC00090707-02 
NCGC00090707-03 
NCGC00090707-04 
4-Nitrochlorobenzene 
NCGC00253995-01 
NCGC00259840-01 
AJ-45977 
BP-13397 
CJ-10850 
I478 
PS-10611 
SC-27991 
SMR000674577 
AB1002242 
PNCB 
DB-038035 
RT-000437 
ST2415306 
1-Chloro-4-nitrobenzene, analytical standard 
C14456 
AR-360/40217802 
1-Chloro-4-nitrobenzene 100 microg/mL in Methanol 
Chloronitrobenzene, para, solid [UN1578] [Poison] 
I01-6704 
J-000002 
4-Chloro-1-nitrobenzene 
J-515172 
Chloronitrobenzene, para, solid [UN1578] [Poison] 
F0001-0006 
para-NITROCHLOROBENZENE (1-CHLORO-4-NITROBENZENE) 
UNII-846GSP547V component CZGCEKJOLUNIFY-UHFFFAOYSA-N 
InChI=1/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4 
Nitrochlorobenzene 
Chloro-4-nitrobenzene 
1-Klor-4-nitrobenzen 
P-Nitro chloro benzene 
p-Nitrophenyl chloride 
1-Cloro-4-nitrobenceno 
Chloronitrobenzene (p-) 
Nitrochlorobenzene, solid 
Nitrochlorobenzne (para-) 
Benceno, 1-cloro-4-nitro- 
C6-H4-Cl-N-O2 
UN1578 
CID7474 
AR-1K9767 
c0222 
p-Nitrochlorobenzol 
NA1578 
ACN-040620 
1-Chloro-4-nitrobenzene, 98% 250g 
1-Chloro-4-nitrobenzene, 99% - 100G 100g 
Chloronitrobenzene, p- ; (p-nitrochlorobenzene) 
C010407 
Chloronitrobenzene, p- ; (p-Nitrochlorobenzene) 
1-Chloro-4-Nitrobenzene 99% for synthesis (PNCB) 500gm 
1-Chloro-4-nitrobenzene (100 - <lt/> 1,000 microg/ml) in methanol 
68239-23-6 
p-Nitroclorobenzene 
73033-85-9 
CNB 
1-Nitro-4-chlorobenzene 
4-Nitro-1-chlorobenzene 
p-Nitrochloorbenzeen 
p-chloronitrobenzene 
1-Chlor-4-nitrobenzol 
1-Cloro-4-nitrobenzene 
1-Chloor-4-nitrobenzeen 
NSC 9792 
UNII-CVL66U249D 
p-Nitrochloorbenzeen [Dutch] 
p-Nitrochlorobenzol [German] 
CCRIS 142 
p-Nitroclorobenzene [Italian] 
HSDB 1666 
p-nitrochlorobenzene 
1-Chlor-4-nitrobenzol [German] 
1-Chloor-4-nitrobenzeen [Dutch] 
1-Cloro-4-nitrobenzene [Italian] 
EINECS 202-809-6 
MFCD00007285 
1-Chloro-4-nitro benzene 
1-Chloro-4-nitro-benzene 
AI3-15387 
CVL66U249D 
CHEBI:34399 
PNCB 
1-Chloro-4-nitrobenzene, 99% 
CZGCEKJOLUNIFY-UHFFFAOYSA-N 
4-chlorophenyl nitrate 
DSSTox_CID_281 
DSSTox_RID_75484 
DSSTox_GSID_20281 
CAS-100-00-5 
Benzene-1,2,4,5-d4, 3-chloro-6-nitro- 
parachloronitrobenzene 
paranitrochlorobenzene 
4-Chloronitrobenzene 
p-chloro nitrobenzene 
p-chloro-nitrobenzene 
p-nitro-chlorobenzene 
PNCBO 
p-Nitrochloro benzene 
4-chloro-nitrobenzene 
4-chloronitro benzene 
4-nitro chlorobenzene 
para-chloronitrobenzene 
para-nitrochlorobenzene 
1-CHLORO-4-NITROBENZENE 
Nitrochlorobenzene, p- 
1chloro-4-nitrobenzene 
1,4-Chloronitrobenzene 
Nitrochlorobenzene, para 
AC1L1OUD 
1 Chloro-4-nitrobenzene 
WLN: WNR DG 
EC 202-809-6 
AC1Q5AT5 
ACMC-1BP17 
100-00-5 
SCHEMBL29242 
ghl.PD_Mitscher_leg0.919 
KSC492E6N 
MLS001055334 
UN 1578 (Salt/Mix) 
BIDD:ER0244 
CHEMBL56970 
Chloronitrobenzene, para, solid 
DTXSID5020281 
SCHEMBL13815839 
p-Chloronitrobenzene 
CTK3J2266 
KS-00000UJY 
NSC9792 
p-chloronitrobenzene radical anion 
BENZENE,1-CHLORO,4-NITRO 
HMS3039H08 
p-Nitrochlorobenzene radical anion; 
4-chloronitrobenzene anion radical; 
4-chloronitrobenzene radical anion; 
NSC-9792 
p-Nitrochlorobenzene 
ZINC3860273 
Tox21_202291 
Tox21_300033 
ANW-14125 
BBL013182 
EBD932404 
LS-291 
STL163961 
1-chloro-4-nitrobenzene radical anion 
AKOS000119953 
Literature

Title: Effect of H2 on reductive transformation of p-ClNB in a combined ZVI-anaerobic sludge system.

Journal: Water research 20121201

Title: Detection of trace nitroaromatic isomers using indium tin oxide electrodes modified using β-cyclodextrin and silver nanoparticles.

Journal: Analytical chemistry 20121016

Title: Ultrasonic-assisted water extraction and solvent bar microextraction followed by gas chromatography-ion trap mass spectrometry for determination of chlorobenzenes in soil samples.

Journal: Journal of chromatography. A 20120921

Title: 1-(Biphenyl-4-ylcarbon-yl)-3-(2-chloro-4-nitro-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: Solvent-free selective hydrogenation of chloronitrobenzene to chloroaniline over a robust Pt/Fe3O4 catalyst.

Journal: Chemical communications (Cambridge, England) 20120325

Title: In situ hydrothermal grown silicalite-1 coating for solid-phase microextraction.

Journal: Analytical chemistry 20120306

Title: Cyclodextrin induced switch between heterolytic and homolytic dediazoniation mechanisms.

Journal: Journal of colloid and interface science 20120215

Title: [Kinetic study of 4-chloronitrobenzene degradation by zero-valent iron].

Journal: Huan jing ke xue= Huanjing kexue 20120201

Title: Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise.

Journal: BMC microbiology 20120101

Title: The organic contamination survey and health risk assessment of 16 source water reservoirs in Haihe River basin.

Journal: Water science and technology : a journal of the International Association on Water Pollution Research 20120101

Title: Metabolism of 2-chloro-4-nitrophenol in a gram negative bacterium, Burkholderia sp. RKJ 800.

Journal: PloS one 20120101

Title: Effect of calcination temperature on the catalytic activity of nanosized TiO(2) for ozonation of trace 4-chloronitrobenzene.

Journal: Water science and technology : a journal of the International Association on Water Pollution Research 20120101

Title: 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.

Journal: Inorganic chemistry 20111121

Title: Degradation p-chloronitrobenzene in ozone-loaded system with perfluorodecalin solvent.

Journal: Bulletin of environmental contamination and toxicology 20110901

Title: Bioreduction of para-chloronitrobenzene in drinking water using a continuous stirred hydrogen-based hollow fiber membrane biofilm reactor.

Journal: Journal of hazardous materials 20110830

Title: A probable hydrogen-bonded Meisenheimer complex: an unusually high S(N)Ar reactivity of nitroaniline derivatives with hydroxide ion in aqueous media.

Journal: The Journal of organic chemistry 20110805

Title: Hydrogenation of p-chloronitrobenzene over nanostructured-carbon-supported ruthenium catalysts.

Journal: ChemSusChem 20110718

Title: Effects of common dissolved anions on the reduction of para-chloronitrobenzene by zero-valent iron in groundwater.

Journal: Water science and technology : a journal of the International Association on Water Pollution Research 20110101

Title: Effective degradation of para-chloronitrobenzene through a sequential treatment using zero-valent iron reduction and Fenton oxidation.

Journal: Water science and technology : a journal of the International Association on Water Pollution Research 20110101

Title: Photodegradation of 4-chloronitrobenzene in the presence of aqueous titania suspensions in different gas atmospheres.

Journal: Water science and technology : a journal of the International Association on Water Pollution Research 20110101

Title: Hydrothermal synthesis of TiO2 hollow microspheres for the photocatalytic degradation of 4-chloronitrobenzene.

Journal: Journal of hazardous materials 20101215

Title: 2,2'-(4-{[(E)-4-Meth-oxy-benzyl-idene]amino}-phenyl-imino)-diethanol.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: [Effect of surfactant on the evaporation of p-chloronitrobenzene and naphthalene in the turbulent process].

Journal: Huan jing ke xue= Huanjing kexue 20100701

Title: 4-[(E)-({4-[Bis-(2-hy-droxy-eth-yl)amino]-phen-yl}imino)-meth-yl]phenol.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

Title: Noncrystalline NiPB nanotubes for hydrogenation of p-chloronitrobenzene.

Journal: Chemical communications (Cambridge, England) 20100407

Title: Dechlorination/detoxification of aromatic chlorides using fly ash under mild conditions.

Journal: Waste management (New York, N.Y.) 20091201

Title: The feasibility of enhanced soil washing of p-nitrochlorobenzene (pNCB) with SDBS/Tween80 mixed surfactants.

Journal: Journal of hazardous materials 20091030

Title: Ozone enhanced activity of aqueous titanium dioxide suspensions for photodegradation of 4-chloronitrobenzene.

Journal: Journal of hazardous materials 20090815

Title: Effect of mixed anions (HCO3(-) -SO4(2-)-ClO4 on granular iron (Fe(0)) reactivity.

Journal: Environmental science & technology 20090801

Title: 1-(2-Chloro-5-nitro-phen-yl)-3-(2,2-di-methyl-propion-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: Aqueous p-chloronitrobenzene decomposition induced by contact glow discharge electrolysis.

Journal: Journal of hazardous materials 20090730

Title: Development and assessment of a rate equation for chemical transformations in reactive porous media.

Journal: Environmental science & technology 20090601

Title: Degradation and detoxification of disperse dye Scarlet RR by Galactomyces geotrichum MTCC 1360.

Journal: Journal of microbiology and biotechnology 20090401

Title: 4-(4-Nitro-phenoxy)biphen-yl.

Journal: Acta crystallographica. Section E, Structure reports online 20090401

Title: Bioaugmentation of a 4-chloronitrobenzene contaminated soil with Pseudomonas putida ZWL73.

Journal: Environmental pollution (Barking, Essex : 1987) 20090301

Title: Application of nitroarene dioxygenases in the design of novel strains that degrade chloronitrobenzenes.

Journal: Microbial biotechnology 20090301

Title: Isomerization reactions on single adsorbed molecules.

Journal: Accounts of chemical research 20090217

Title: Proteomic and molecular investigation on the physiological adaptation of Comamonas sp. strain CNB-1 growing on 4-chloronitrobenzene.

Journal: Biodegradation 20090201

Title: Bending a bond within an individual adsorbed molecule.

Journal: Journal of the American Chemical Society 20090121

Title: Chirality change of chloronitrobenzene on Au(111) induced by inelastic electron tunneling.

Journal: Angewandte Chemie (International ed. in English) 20090101

Title: [Simultaneous remediation of Cr (VI) and p-NCB by nanosacle iron].

Journal: Huan jing ke xue= Huanjing kexue 20090101

Title: Mid-infrared sensing of organic pollutants in aqueous environments.

Journal: Sensors (Basel, Switzerland) 20090101

Title: Substituent effect on electronic structures of halonitrobenzenes.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215

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

Journal: Environmental science & technology 20081115

Title: (E)-N'-(2-Chloro-5-nitro-benzyl-idene)-4-methoxy-benzohydrazide.

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

Title: Abiotic reduction of nitroaromatic contaminants by iron(II) complexes with organothiol ligands.

Journal: Environmental toxicology and chemistry 20080601

Title: Application of surface complexation modeling to the reactivity of iron(II) with nitroaromatic and oxime carbamate contaminants in aqueous TiO2 suspensions.

Journal: Journal of colloid and interface science 20080515

Title: 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.

Journal: Chemical communications (Cambridge, England) 20080507

Title: Orientational disorder in 4-chloronitrobenzene.

Journal: Acta crystallographica. Section C, Crystal structure communications 20080501

Title: Kinetics and mechanism of degradation of p-chloronitrobenzene in water by ozonation.

Journal: Journal of hazardous materials 20080415

Title: Exclusive production of chloroaniline from chloronitrobenzene over Au/TiO2 and Au/Al2O3.

Journal: ChemSusChem 20080101

Title: 1-(2-Methoxy-ethoxy)-4-nitro-benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: [Effect and mechanism of removal of trace p-chloronitrobenzene in aqueous solution by ZnOOH/O3].

Journal: Huan jing ke xue= Huanjing kexue 20071101

Title: A novel deaminase involved in chloronitrobenzene and nitrobenzene degradation with Comamonas sp. strain CNB-1.

Journal: Journal of bacteriology 20070401

Title: Electron induced ortho-meta isomerization of single molecules.

Journal: Physical review letters 20070316

Title: Ethoxylation of p-chloronitrobenzene using phase-transfer catalysts by ultrasound irradiation: a kinetic study.

Journal: Ultrasonics sonochemistry 20070301

Title: The development of novel organically modified sol-gel media for use with ATR/FTIR sensing.

Journal: The Analyst 20070301

Title: An instrument to investigate femtochemistry on metal surfaces in real space.

Journal: The Review of scientific instruments 20070301

Title: Plant-microbe association for rhizoremediation of chloronitroaromatic pollutants with Comamonas sp. strain CNB-1.

Journal: Environmental microbiology 20070201

Title: [Synthesis and bioactivity of N- [4- ( benzimidazole-2-thio) phenyl] -N'-alkyl guanidine derivatives].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20070201

Title: Urinary metabolites and health effects in workers exposed chronically to chloronitrobenzene.

Journal: Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20070101

Title: [Estimation of bioconcentration factor of benzene derivatives].

Journal: Ying yong sheng tai xue bao = The journal of applied ecology 20061201

Title: Submolecular imaging of chloronitrobenzene isomers on Cu(111).

Journal: The Journal of chemical physics 20061114

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Characterization of genes involved in the initial reactions of 4-chloronitrobenzene degradation in Pseudomonas putida ZWL73.

Journal: Applied microbiology and biotechnology 20061101

Title: Plasmid-mediated degradation of 4-chloronitrobenzene by newly isolated Pseudomonas putida strain ZWL73.

Journal: Applied microbiology and biotechnology 20061001

Title: Structure relationship of nitrochlorobenzene catalytic degradation process in water over palladium-iron bimetallic catalyst.

Journal: Journal of Zhejiang University. Science. B 20060701

Title: Kinetic and microscopic studies of reductive transformations of organic contaminants on goethite.

Journal: Environmental science & technology 20060515

Title: Selective terminal heck arylation of vinyl ethers with aryl chlorides: a combined experimental-computational approach including synthesis of betaxolol.

Journal: The Journal of organic chemistry 20060512

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: Abiotic reduction of nitroaromatic compounds by aqueous iron(ll)-catechol complexes.

Journal: Environmental science & technology 20060501

Title: Novel partial reductive pathway for 4-chloronitrobenzene and nitrobenzene degradation in Comamonas sp. strain CNB-1.

Journal: Applied and environmental microbiology 20060301

Title: Catalytic amination and dechlorination of para-nitrochlorobenzene (p-NCB) in water over palladium-iron bimetallic catalyst.

Journal: Chemosphere 20060201

Title: Thirteen-week oral toxicity of para- and ortho- chloronitrobenzene in rats and mice.

Journal: The Journal of toxicological sciences 20060201

Title: Internal exposure, health effects, and cancer risk of humans exposed to chloronitrobenzene.

Journal: Environmental science & technology 20060101

Title: Carcinogenicity and chronic toxicity of para-chloronitrobenzene in rats and mice by two-year feeding.

Journal: Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20060101

Title: Novosphingobium taihuense sp. nov., a novel aromatic-compound-degrading bacterium isolated from Taihu Lake, China.

Journal: International journal of systematic and evolutionary microbiology 20050501

Title: Major anion effects on the kinetics and reactivity of granular iron in glass-encased magnet batch reactor experiments.

Journal: Environmental science & technology 20050315

Title: Selective adsorption of p-chloronitrobenzene from aqueous mixture of p-chloronitrobenzene and o-chloronitrobenzene using HZSM-5 zeolite.

Journal: Water research 20050301

Title: 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.

Journal: Archives of microbiology 20050101

Title: [Three cases of acute p-nitrochlorobenzene poisoning].

Journal: Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases 20040601

Title: [Synthesis and spectral characterization of 4-amino-4'-chlorobenzophenone].

Journal: Guang pu xue yu guang pu fen xi = Guang pu 20040501

Title: Reactivity of Fe(II)-bearing minerals toward reductive transformation of organic contaminants.

Journal: Environmental science & technology 20040201

Title: Heterogeneity of CD80 gene transcription by human keratinocytes to allergens and irritants: relevance to allergic contact dermatitis in vivo.

Journal: Journal of applied toxicology : JAT 20040101

Title: Ab initio evaluation of intramolecular electron transfer reactions in halobenzenes and stabilized derivatives.

Journal: The Journal of organic chemistry 20031128

Title: Identification of DNA adducts using HPLC/MS/MS following in vitro and in vivo experiments with arylamines and nitroarenes.

Journal: Chemical research in toxicology 20031001

Title: Diaphorobacter nitroreducens gen nov, sp nov, a poly(3-hydroxybutyrate)-degrading denitrifying bacterium isolated from activated sludge.

Journal: The Journal of general and applied microbiology 20021201

Title: In vitro nephrotoxicity induced by chloronitrobenzenes in renal cortical slices from Fischer 344 rats.

Journal: Toxicology letters 20020324

Title: Structure-activity relationships for chemical and glutathione S-transferase-catalysed glutathione conjugation reactions of a series of 2-substituted 1-chloro-4-nitrobenzenes.

Journal: The Biochemical journal 19961201

Title: Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 19960201

Title: Subchronic inhalation toxicity of p-nitroaniline and p-nitrochlorobenzene in rats.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology 19860501

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: