Home Other Building Blocks 4-Nitroaniline

4-Nitroaniline

CAS No.:
100-01-6
Catalog Number:
AG00344B
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00344B
Chemical Name:
4-Nitroaniline
CAS Number:
100-01-6
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00007858
IUPAC Name:
4-nitroaniline
InChI:
InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
InChI Key:
TYMLOMAKGOJONV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-810-1
UNII:
1MRQ0QZG7G
NSC Number:
9797
RTECS Number:
BY7000000
UN Number:
1661
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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Water solvent effect on the first hyperpolarizability of p-nitrophenol and p-nitrophenylphosphate: a time-dependent density functional study. The Journal of chemical physics 20060507
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
In vitro characterization of an in situ microdialysis sampling assay for elastase activity detection. Journal of pharmaceutical and biomedical analysis 20060318
Structure and dipole moments of the two distinct solvated forms of p-nitroaniline in acetonitrile/CCl4 as studied by infrared electroabsorption spectroscopy. The journal of physical chemistry. A 20060316
Separation and determination of nitroaniline isomers by capillary zone electrophoresis with amperometric detection. Talanta 20060315
Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model. The Journal of chemical physics 20060307
Matrix isolation and computational study of the photochemistry of p-azidoaniline. Physical chemistry chemical physics : PCCP 20060214
Studies of selenium in environmental samples and synthetic mixtures by spectrophotometry. Chemosphere 20060201
Separation and determination of sugars by reversed-phase high-performance liquid chromatography after pre-column microwave-assisted derivatization. Analytical and bioanalytical chemistry 20060201
Paenidase, a novel D-aspartyl endopeptidase from Paenibacillus sp. B38: purification and substrate specificity. Journal of biochemistry 20060201
The p-nitroaniline test to asses the bacterial microbiota of raw ground meat aerobically stored. Meat science 20060201
Dynamics of p-nitroaniline molecules in micoporous aluminophosphate AlPO4-5 studied by solid-state NMR. The journal of physical chemistry. B 20060112
Quantitative determination of the multicomponents with overlapping ultraviolet spectra using wavelet-packed transform and partial least squares. Journal of automated methods & management in chemistry 20060101
Dynamical arrest of electron transfer reorganization in super-cooled water. Journal of the American Chemical Society 20051130
Nonlinear response theory with relaxation: the first-order hyperpolarizability. The Journal of chemical physics 20051115
Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. I. Molecular polarizabilities and hyperpolarizabilities. The journal of physical chemistry. A 20051110
Second-harmonic generation of solvated molecules using multiconfigurational self-consistent-field quadratic response theory and the polarizable continuum model. The Journal of chemical physics 20051008
Equilibrium and kinetic studies on the adsorption of aniline compounds from aqueous phase onto bifunctional polymeric adsorbent with sulfonic groups. Chemosphere 20051001
An unusual feature of end-substituted model carbon (6,0) nanotubes. Journal of molecular modeling 20050901
Collagen production in cardiac fibroblasts during inhibition of aminopeptidase B. Journal of the renin-angiotensin-aldosterone system : JRAAS 20050901
The first hyperpolarizability of p-nitroaniline in 1,4-dioxane: a quantum mechanical/molecular mechanics study. The Journal of chemical physics 20050815
Optimization of nonlinear optical properties by substituent position, geometry and symmetry of the molecule: An ab initio study. The journal of physical chemistry. B 20050728
Energy flow in push-pull chromophores: vibrational dynamics in para-nitroaniline. Chemphyschem : a European journal of chemical physics and physical chemistry 20050613
Detection and quantification of leucyl aminopeptidase after native electrophoresis using leucine-p-nitroanilide. Electrophoresis 20050601
Protonated nitro group: structure, energy and conjugation. Organic & biomolecular chemistry 20050521
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). Journal of medicinal chemistry 20050505
Electrochemically controlled hydrogen bonding. Nitrobenzenes as simple redox-dependent receptors for arylureas. Journal of the American Chemical Society 20050504
Characterization of some synthetic Ru and Ir complexes by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Journal of mass spectrometry : JMS 20050501
Insertion of dipolar molecules in channels of a centrosymmetric organic zeolite: molecular modeling and experimental investigations on diffusion and polarity formation. The journal of physical chemistry. B 20050428
The mechanistic origin of regiochemical changes in the nitrosative N-dealkylation of N,N-dialkyl aromatic amines. Organic & biomolecular chemistry 20050321
Spectrophotometric simultaneous determination of nitroaniline isomers by orthogonal signal correction-partial least squares. Talanta 20050315
Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores. Journal of the American Chemical Society 20050302
Micell-mediated extraction for the spectrophotometric determination of nitrite in water and biological samples based on its reaction with p-nitroaniline in the presence of diphenylamine. Analytical biochemistry 20050115
Reversal of angiotensin II-stimulated collagen gel contraction in cardiac fibroblasts by aminopeptidase inhibition. Journal of cardiovascular pharmacology 20050101
Effects of ionizable organic compounds in different species on the sorption of p-nitroaniline to sediment. Water research 20050101
Nonnatural amino acid incorporation into the methionine 214 position of the metzincin Pseudomonas aeruginosa alkaline protease. BMC biochemistry 20050101
Reduced flavin: NMR investigation of N5-H exchange mechanism, estimation of ionisation constants and assessment of properties as biological catalyst. BMC biochemistry 20050101
Altered specificity of Hint-W123Q supports a role for Hint inhibition by ASW in avian sex determination. Physiological genomics 20041215
Spectrophotometric determination of hydroxylamine and its derivatives in pharmaceuticals. Chemical & pharmaceutical bulletin 20041201
Regional phospholipid analysis of porcine lens membranes by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Journal of mass spectrometry : JMS 20041201
Ion soft-landing into liquids: Protein identification, separation, and purification with retention of biological activity. Journal of the American Society for Mass Spectrometry 20041201
Effect of bestatin on angiotensin I-, II- and III-induced collagen gel contraction in cardiac fibroblasts. Journal of the renin-angiotensin-aldosterone system : JRAAS 20041201
Reduction of Cr(VI) in presence of some amino compounds. Journal of colloid and interface science 20041101
Preparation of peptide p-nitroanilides using an aryl hydrazine resin. Organic letters 20041014
4-Nitroanilinium nitrate. Acta crystallographica. Section C, Crystal structure communications 20041001
[Synthesis and anti-inflammatory activity of N-(4-arylamidophenyl) methanesulfonamide derivatives]. Yao xue xue bao = Acta pharmaceutica Sinica 20040701
Sorption of ionizable organic compounds on HDTMA-modified loess soil. The Science of the total environment 20040629
Distributed polarizability analysis for para-nitroaniline and meta-nitroaniline: functional group and charge-transfer contributions. The Journal of chemical physics 20040622
A continuous spectrophotometric assay for Pseudomonas aeruginosa LasA protease (staphylolysin) using a two-stage enzymatic reaction. Analytical biochemistry 20040515
Synthesis of novel steroid-tetrahydroquinoline hybrid molecules and D-homosteroids by intramolecular cyclization reactions. Steroids 20040501
Biochemical, crystallographic, and mutagenic characterization of hint, the AMP-lysine hydrolase, with novel substrates and inhibitors. The Journal of biological chemistry 20040430
Alternative approaches for the detection of various phospholipid classes by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Journal of mass spectrometry : JMS 20040401
In situ MALDI-TOF MS regional analysis of neutral phospholipids in lens tissue. Analytical chemistry 20040315
Polyvinylpyrrolidone-drug conjugate: synthesis and release mechanism. Journal of controlled release : official journal of the Controlled Release Society 20040108
Microsphere size, precipitation kinetics and drug distribution control drug release from biodegradable polyanhydride microspheres. Journal of controlled release : official journal of the Controlled Release Society 20040108
Hyper-Rayleigh scattering of gold nanorods and their relationship with linear assemblies of gold nanospheres. Faraday discussions 20040101
In vitro water activity and pH dependence of mycelial growth and extracellular enzyme activities of Trichoderma strains with biocontrol potential. Journal of applied microbiology 20040101
Collagen production in cardiac fibroblasts during inhibition of angiotensin-converting enzyme and aminopeptidases. Journal of hypertension 20040101
Association of liver hemangiosarcoma and secondary iron overload in B6C3F1 mice--the National Toxicology Program experience. Toxicologic pathology 20040101
Photocatalytic mineralisation of aniline derivatives in aquatic systems using semiconductor oxides. Annali di chimica 20040101
Production of extracellular proteases by human pathogenic Trichoderma longibrachiatum strains. Acta microbiologica et immunologica Hungarica 20040101
Do enzymes change the nature of transition states? Mapping the transition state for general acid-base catalysis of a serine protease. Biochemistry 20030916
A solid-state nitrogen-15 NMR and ab initio study of nitrobenzenes. The Journal of organic chemistry 20030530
Quantification of elastase-like activity in 13 human cancer cell lines and in an immortalized human epithelial cell line by RP-HPLC. Biological chemistry 20030501
Spectrophotometric determination of labetalol in pharmaceutical preparations and spiked human urine. Farmaco (Societa chimica italiana : 1989) 20030401
The effect of sesquiterpene lactones on the release of human neutrophil elastase. Biochemical pharmacology 20030301
Anti-inflammatory effect of rutin on rat paw oedema, and on neutrophils chemotaxis and degranulation. Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie 20030301
Correlation of molecular assembly and interactions in crystals and Langmuir-Blodgett films of N-(2,4-dinitrophenyl)-n-octadecylamine. Chemphyschem : a European journal of chemical physics and physical chemistry 20030113
What is the mechanism of oriented crystal growth on rubbed polymer substrates? Topography vs epitaxy. Journal of the American Chemical Society 20021225
Separation and determination of nitrobenzenes by micellar electrokinetic chromatography and high-performance liquid chromatography. Journal of chromatography. A 20021206
Design of an injectable system based on bioerodible polyanhydride microspheres for sustained drug delivery. Biomaterials 20021101
Changes in high molecular weight kininogen levels during and after cardiopulmonary bypass surgery measured using a chromogenic peptide substrate assay. Blood coagulation & fibrinolysis : an international journal in haemostasis and thrombosis 20020901
Kinetic study of gamma-glutamyltransferase activity by electrophoretically mediated microanalysis combined with micellar electrokinetic capillary chromatography. Electrophoresis 20020901
An improved, reliable and practical kinetic assay for the detection of prekallikrein activator in blood products. Archives of pharmacal research 20020801
Liquid-liquid-liquid microextraction of aromatic amines from water samples combined with high-performance liquid chromatography. Journal of chromatography. A 20020719
Mechanistic relationships between polymer microstructure and drug release kinetics in bioerodible polyanhydrides. Journal of controlled release : official journal of the Controlled Release Society 20020718
Time-resolved electric-field-induced second harmonic: simultaneous measurement of first and second molecular hyperpolarizabilities. Optics letters 20020701
Electrostatic modulation by ionic aggregates: charge transfer transitions in solutions of lithium perchlorate-diethyl ether. Journal of the American Chemical Society 20020626
Dinuclear rhodium and iridium complexes with mixed amido/methoxo and amido/hydroxo bridges. Inorganic chemistry 20020506
Photoinduced demethylation of 4-nitro-N,N-dimethylaniline. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020401
Establishment of a standard assay method for human thrombomodulin and determination of the activity of the Japanese reference standard. Biologicals : journal of the International Association of Biological Standardization 20020301
Ciprofloxacin induces apoptosis and inhibits proliferation of human colorectal carcinoma cells. British journal of cancer 20020201
Theoretical study of the internal rotational barriers in nitrotoluenes, nitrophenols, and nitroanilines. Computers & chemistry 20020101
Identification of genes involved in ceramide-dependent neuronal apoptosis using cDNA arrays. Genome biology 20020101
The characterization of a (nutritionally important) proline iminopeptidase from Eikenella corrodens. Oral microbiology and immunology 20011201
Bcl-2 overexpression attenuates resveratrol-induced apoptosis in U937 cells by inhibition of caspase-3 activity. Carcinogenesis 20011001
Interaction of human cyclophilin hCyp-18 with short peptides suggests the existence of two functionally independent subsites. FEBS letters 20010907
Steady-state kinetic characterization of substrates and metal-ion specificities of the full-length and N-terminally truncated recombinant human methionine aminopeptidases (type 2). Biochemistry 20010904
Cytotoxic activity and QSAR of N,N'-diarylalkanediamides. European journal of medicinal chemistry 20010901
Linear free energy study of ring-substituted aniline ozonation for developing treatment of aniline-based pesticide wastes. Journal of agricultural and food chemistry 20010801
Spectrophotometric methods for the determination of ritodrine hydrochloride and its application to pharmaceutical preparations. Farmaco (Societa chimica italiana : 1989) 20010801
Preparation and cytotoxicity toward cancer cells of mono(arylimino) derivatives of beta-lapachone. Journal of medicinal chemistry 20010719
Differences in the specificities of the highly alkalophilic proteinases Savinase and Esperase imposed by changes in the rigidity and geometry of the substrate binding sites. Archives of biochemistry and biophysics 20010315
Microphase separation in bioerodible copolymers for drug delivery. Biomaterials 20010201
Linear competitive inhibition of human tissue kallikrein by 4-aminobenzamidine and benzamidine and linear mixed inhibition by 4-nitroaniline and aniline. Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas 20010101
Pathological apoptosis by xanthurenic acid, a tryptophan metabolite: activation of cell caspases but not cytoskeleton breakdown. BMC physiology 20010101
Amidolytic and peptidolytic activities of immunoglobulin G present in sera from patients with rheumatoid arthritis, Sjogren's syndrome and systemic lupus erythematosus. Immunology 19980901
2-Methoxy-4-nitroaniline and its isomers induce cytochrome P4501A (CYP1A) enzymes with different selectivities in the rat liver. Biochimica et biophysica acta 19980302
2-Methoxy-4-nitroaniline is a selective inducer of cytochrome P450IA2 (CYP1A2) in rat liver. Cancer letters 19950904
Peptidic p-nitroanilide substrates of interleukin-1 beta-converting enzyme. International journal of peptide and protein research 19940101
[Enzymatic determination of glandular kallikrein in human pancreatic secretions]. Zeitschrift fur medizinische Laboratoriumsdiagnostik 19900101
Nonchromogenic hydrolysis of elastase and cathepsin G p-nitroanilide substrates by Pseudomonas aeruginosa elastase. American journal of respiratory cell and molecular biology 19890701
The complement component C1s catalysed hydrolysis of peptide 4-nitroanilide substrates. Biochimica et biophysica acta 19870527
Subchronic inhalation toxicity of p-nitroaniline and p-nitrochlorobenzene in rats. Fundamental and applied toxicology : official journal of the Society of Toxicology 19860501
Discriminative effect of gamma-glutamyl transpeptidase inhibitors on metabolism of leukotriene C4 in peritoneal cells. Life sciences 19841119
Standardized automated assay for functional alpha 1-antitrypsin. Clinical chemistry 19841101
Blood coagulation and acute iron toxicity. Reversible iron-induced inactivation of serine proteases in vitro. The Journal of laboratory and clinical medicine 19840401
Activation of Hageman factor (factor XII) by sulfatides and other agents in the absence of plasma proteases. The Journal of laboratory and clinical medicine 19830701
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