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103-71-9,MFCD00001994
Catalog No.:AA0085D6

103-71-9 | Phenyl isocyanate

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0085D6
Chemical Name:
Phenyl isocyanate
CAS Number:
103-71-9
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
MDL Number:
MFCD00001994
SMILES:
O=C=Nc1ccccc1
NSC Number:
74454
UN Number:
2487
Properties
Computed Properties
 
Complexity:
121  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.7  

Literature

Title: Mass spectrometric identification of isocyanate-induced modifications of keratins in human skin.

Journal: Chemico-biological interactions 20150725

Title: Carbodiimides in the synthesis of enamino- and α-aminophosphonates as peptidomimetics of analgesic/antiinflammatory and anticancer agents.

Journal: Archiv der Pharmazie 20121101

Title: Sequential identification of model parameters by derivative double two-dimensional correlation spectroscopy and calibration-free approach for chemical reaction systems.

Journal: Analytical chemistry 20121002

Title: Intriguing roles of reactive intermediates in dissociation chemistry of N-phenylcinnamides.

Journal: Organic & biomolecular chemistry 20120921

Title: Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.

Journal: Dalton transactions (Cambridge, England : 2003) 20120814

Title: Reactive N-protonated isocyanate species stabilized by bis(μ-hydroxo)divanadium(IV)-substituted polyoxometalate.

Journal: Angewandte Chemie (International ed. in English) 20120727

Title: Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.

Journal: Journal of medicinal chemistry 20120412

Title: Helical polymer brushes with a preferred-handed helix-sense triggered by a terminal optically active group in the pendant.

Journal: Chemical communications (Cambridge, England) 20120404

Title: Versatile stereoselective cycloadditions between heterocumulenes and phosphagermaallene Tip(tBu)Ge=C=PMes*: experimental and theoretical investigations.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20111104

Title: 1,1'-(Propane-1,3-di-yl)bis-(3-phenyl-urea).

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: (η-Isopropyl N-phenyl-carbamate)(η-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) tetra-phenyl-borate acetone monosolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Modeling of isomeric structure of diphenyl urethane by FT-IR spectroscopy during synthesis from phenylisocyanate and phenol as an inverse kinetic problem.

Journal: The journal of physical chemistry. A 20110818

Title: Design, synthesis and biological evaluation of urea derivatives from o-hydroxybenzylamines and phenylisocyanate as potential FabH inhibitors.

Journal: Bioorganic & medicinal chemistry 20110801

Title: 1-[3-(Hy-droxy-meth-yl)phen-yl]-3-phenyl-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: 7-Benzyl-2-[(cyclo-propyl-meth-yl)amino]-3-phenyl-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: The first bridged lanthanide carbene complex formed through reduction of carbodiimide by diamine-bis(phenolate) ytterbium(II) complex and its reactivity to phenylisocyanate.

Journal: Chemical communications (Cambridge, England) 20110328

Title: Imidotungsten(VI) complexes with chelating amino and imino phenolates.

Journal: Dalton transactions (Cambridge, England : 2003) 20110328

Title: PICquant: a quantitative platform to measure differential peptide abundance using dual-isotopic labeling with 12C6- and 13C6-phenyl isocyanate.

Journal: Analytical chemistry 20110201

Title: Diphenylthiourea, a common rubber chemical, is bioactivated to potent skin sensitizers.

Journal: Chemical research in toxicology 20110114

Title: Kinetic and thermodynamic evaluation of the reversible N-heterocyclic carbene-isothiocyanate coupling reaction: applications in latent catalysis.

Journal: The Journal of organic chemistry 20110107

Title: Synthesis of a versatile building block for the preparation of 6-N-derivatized α-galactosyl ceramides: rapid access to biologically active glycolipids.

Journal: The Journal of organic chemistry 20110107

Title: Synthesis of substituted 3-amino-N-phenyl-1H-indazole-1-carboxamides endowed with antiproliferative activity.

Journal: European journal of medicinal chemistry 20110101

Title: N-Phenyl-morpholine-4-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110101

Title: Orally active multi-functional antioxidants delay cataract formation in streptozotocin (type 1) diabetic and gamma-irradiated rats.

Journal: PloS one 20110101

Title: Effects of alkaline or liquid-ammonia treatment on crystalline cellulose: changes in crystalline structure and effects on enzymatic digestibility.

Journal: Biotechnology for biofuels 20110101

Title: Elucidating the role of ferrous ion cocatalyst in enhancing dilute acid pretreatment of lignocellulosic biomass.

Journal: Biotechnology for biofuels 20110101

Title: Structure and dynamic features of an intramolecular frustrated Lewis pair.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20101217

Title: 2-Anilino-3-(2-hy-droxy-phen-yl)quinazolin-4(3H)-one-triphenyl-phosphine oxide (1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: 2-Anilino-3-(2-hy-droxy-phen-yl)quinazolin-4(3H)-one methanol monosolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thio-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: Cyclo-hexane-1,3-diyl bis-(N-phenyl-carbamate).

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: Addition reactions to the intramolecular mesityl2P-CH2-CH2-B(C6F5)2 frustrated Lewis pair.

Journal: Dalton transactions (Cambridge, England : 2003) 20100828

Title: 2-(4-Methyl-cyclo-hex-3-en-yl)propan-2-yl N-phenyl-carbamate.

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

Title: 2-[2-(2-Anilino-4-oxo-3,4-dihydro-quinazolin-3-yl)phen-oxy]-3-phenyl-quinazolin-4(3H)-one methanol hemisolvate.

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

Title: 2,10-Bis(3-bromo-phen-yl)-3,7,11,15-tetra-oxa-8,16-diaza-tricyclo-[12.2.1.1]octa-deca-1(16),6(18),8,14(17)-tetra-ene.

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

Title: Ethyl (2,5-dioxo-1-phenyl-2,3-dihydro-1H,5H-1-benzofuro[3,2-d]imidazo[1,2-a]pyrimidin-3-yl)acetate.

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

Title: Synthesis and properties of chiral pyrazolidines derived from (+)-pulegone.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100705

Title: Facile double-lithiation of a transient urea: vicarious ortho-metalation of aniline derivatives.

Journal: Organic letters 20100702

Title: Latent enamine functionality of 5-methyl-2,3-dihydropyrazines.

Journal: Chemical & pharmaceutical bulletin 20100701

Title: The roots of bioinformatics in protein evolution.

Journal: PLoS computational biology 20100701

Title: Preparation and enantioseparation of a mixed selector chiral stationary phase derived from benzoylated tartaric acid and 1,2-diphenylethylenediamine.

Journal: Chirality 20100601

Title: A new general pathway for synthesis of reference compounds of N-terminal valine-isocyanate adducts.

Journal: Chemical research in toxicology 20100315

Title: Synthesis, characterization, and in vitro antimicrobial activities of 5-alkenyl/hydroxyalkenyl-2-phenylamine-1,3,4-oxadiazoles and thiadiazoles.

Journal: Bioorganic & medicinal chemistry letters 20100315

Title: Synthesis and cyclisation of 1,4-disubstituted semicarbazides.

Journal: Natural product research 20100301

Title: Synthesis of new glycosyl biuret and urea derivatives as potential glycoenzyme inhibitors.

Journal: Carbohydrate research 20100126

Title: Isocyanate diinsertion into the N-H bond of the 2-pyridylamino ligand of organolanthanides.

Journal: Dalton transactions (Cambridge, England : 2003) 20100107

Title: Analytical characterization of PEG polymers by MEKC.

Journal: Electrophoresis 20100101

Title: Towards defining molecular determinants recognized by adaptive immunity in allergic disease: an inventory of the available data.

Journal: Journal of allergy 20100101

Title: Synthesis of new imidazolidin-2,4-dione and 2-thioxoimidazolidin-4-ones via C-phenylglycine derivatives.

Journal: Molecules (Basel, Switzerland) 20091230

Title: 3-(2-Amino-ethyl)-2-anilinoquinazolin-4(3H)-one methanol hemisolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: Ethyl 2-isopropyl-amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: Cholest-5-en-3β-yl N-phenyl-carbamate.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: c-3,t-3-Dimethyl-4-oxo-r-2,c-6-diphenyl-piperidine-1-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: Recent advances in synthetic bioelastomers.

Journal: International journal of molecular sciences 20091001

Title: Ethyl 5-methyl-4-oxo-3-phenyl-2-propyl-amino-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Suicide nucleophilic attack: reactions of benzohydroxamate anion with bis(2,4-dinitrophenyl) phosphate.

Journal: The Journal of organic chemistry 20090717

Title: Analysis of aminoglycoside residues in bovine milk by liquid chromatography electrospray ion trap mass spectrometry after derivatization with phenyl isocyanate.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20090515

Title: Quantitative analysis of valiolamine through pre-column derivatization with phenylisocyanate using high-performance liquid chromatography with UV detection: selection of reagent, identification of derivative and optimization of derivatization conditions.

Journal: Journal of pharmaceutical and biomedical analysis 20090501

Title: 2-Methyl-1,2,3,4-tetra-hydro-isoquinolin-6-yl N-phenyl-carbamate.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: Immobilization of (1S,2R)-(+)-2-amino-1,2-diphenylethanol derivates on aminated silica gel with different linkages as chiral stationary phases and their enantioseparation evaluation by HPLC.

Journal: Chirality 20090401

Title: Synthesis and structures of titanium and yttrium complexes with N,N'-tetramethylguanidinate ligands: different reactivity of the M-N bonds toward phenyl isocyanate.

Journal: Dalton transactions (Cambridge, England : 2003) 20090314

Title: Copper(II) Nanoballs as monomers for polyurethane coatings: synthesis, urethane derivatization and kinetic stability.

Journal: Dalton transactions (Cambridge, England : 2003) 20090227

Title: Synthesis and antiproliferative activity of 3-amino-N-phenyl-1H-indazole-1-carboxamides.

Journal: European journal of medicinal chemistry 20090101

Title: Validation of transferability of DBA derivatization and LC-MS/MS determination method for isocyanates via an interlaboratory comparison.

Journal: The Annals of occupational hygiene 20081101

Title: Aniline in hydrolyzed urine and plasma--possible biomarkers for phenylisocyanate exposure.

Journal: Journal of occupational and environmental hygiene 20081001

Title: In vitro biologic activities of the antimicrobials triclocarban, its analogs, and triclosan in bioassay screens: receptor-based bioassay screens.

Journal: Environmental health perspectives 20080901

Title: Rapid characterization of fatty alcohol ethoxylates by non-aqueous capillary electrophoresis.

Journal: Electrophoresis 20080701

Title: The structural transitions in 6CHBT-based ferronematic droplets.

Journal: Journal of physics. Condensed matter : an Institute of Physics journal 20080521

Title: Oxygen-atom transfer from carbon dioxide to a Fischer carbene at (PNP)Ir.

Journal: Journal of the American Chemical Society 20080507

Title: Active single-drop microextraction for the determination of gaseous diisocyanates.

Journal: Journal of chromatography. A 20080328

Title: Photochemistry of 5-allyloxy-tetrazoles: steady-state and laser flash photolysis study.

Journal: Organic & biomolecular chemistry 20080321

Title: Hsf1 activation inhibits rapamycin resistance and TOR signaling in yeast revealed by combined proteomic and genetic analysis.

Journal: PloS one 20080101

Title: Metallocene antimalarials: the continuing quest.

Journal: Metal-based drugs 20080101

Title: 3,3'-Diphenyl-1,1'-[2,2'-oxybis(2,1-phenyl-ene)]diurea N,N-dimethyl-formamide disolvate.

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

Title: Induction of apoptosis by phenylisocyanate derivative of quercetin: involvement of heat shock protein.

Journal: Anti-cancer drugs 20071101

Title: UV-induced photochemistry of matrix-isolated 1-phenyl-4-allyl-tetrazolone.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20071101

Title: Mineralization of C.I. Reactive Yellow 84 in aqueous solution by sonolytic ozonation.

Journal: Chemosphere 20070901

Title: Carbanilation of cereal beta-glucans for molecular weight determination and conformational studies.

Journal: Carbohydrate research 20070813

Title: Analysis of protein adduction kinetics by quantitative mass spectrometry: competing adduction reactions of glutathione-S-transferase P1-1 with electrophiles.

Journal: Chemico-biological interactions 20070630

Title: The vibrational spectra, assignments and ab initio/DFT analysis for 3-chloro, 4-chloro and 5-chloro-2-methylphenyl isocyanates.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070501

Title: Ytterbium(II) complex bearing a diaminobis(phenolate) ligand: synthesis, structure, and one-electron-transfer and epsilon-caprolactone polymerization reactions.

Journal: Inorganic chemistry 20070205

Title: Facile construction of lanthanide metallomacrocycles with the bridging imidazolate and triazolate ligands and their ring expansions.

Journal: Inorganic chemistry 20070108

Title: Dinitrogen functionalization with bis(cyclopentadienyl) complexes of zirconium and hafnium.

Journal: Dalton transactions (Cambridge, England : 2003) 20070107

Title: Fluorescence sensing of anions based on inhibition of excited-state intramolecular proton transfer.

Journal: The Journal of organic chemistry 20070105

Title: Understanding the influence of post-excite radius and axial confinement on quantitative proteomic measurements using Fourier transform ion cyclotron resonance mass spectrometry.

Journal: Rapid communications in mass spectrometry : RCM 20070101

Title: Design, synthesis, and antiviral evaluation of some 3'-carboxymethyl-3'-deoxyadenosine derivatives.

Journal: Nucleosides, nucleotides & nucleic acids 20070101

Title: Determination of isocyanate biomarkers in construction site workers.

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

Title: Catalysis over zinc-incorporated berlinite (ZnAlPO4) of the methoxycarbonylation of 1,6-hexanediamine with dimethyl carbonate to form dimethylhexane-1,6-dicarbamate.

Journal: Chemistry Central journal 20070101

Title: Validation of a diffusive sampling method for airborne low-molecular isocyanates using 4-nitro-7-piperazinobenzo-2-oxa-1,3-diazole-impregnated filters and liquid chromatography-tandem mass spectrometry.

Journal: Journal of chromatography. A 20061117

Title: Effects of humidity and filter material on diffusive sampling of isocyanates using reagent-coated filters.

Journal: Journal of environmental monitoring : JEM 20061001

Title: Covalent adduction of human serum albumin by 4-hydroxy-2-nonenal: kinetic analysis of competing alkylation reactions.

Journal: Biochemistry 20060905

Title: Comparison of biodegradation of poly(ethylene glycol)s and poly(propylene glycol)s.

Journal: Chemosphere 20060701

Title: Small-molecule microarrays: development of novel linkers and an efficient detection method for bound proteins.

Journal: Bioorganic & medicinal chemistry letters 20060701

Title: Determination of airborne isocyanates generated during the thermal degradation of car paint in body repair shops.

Journal: The Annals of occupational hygiene 20060601

Title: Mechanistic investigations into the photochemistry of 4-allyl-tetrazolones in solution: a new approach to the synthesis of 3,4-dihydro-pyrimidinones.

Journal: The Journal of organic chemistry 20060428

Title: Synthesis, cytotoxicity, and DNA-topoisomerase inhibitory activity of new asymmetric ureas and thioureas.

Journal: Bioorganic & medicinal chemistry 20060115

Title: Amidrazones as precursors of biologically active compounds--synthesis of diaminopyrazoles for evaluation of anticancer activity.

Journal: Archiv der Pharmazie 20060101

Title: Empty level structure in phenyl and benzyl isocyanates.

Journal: The journal of physical chemistry. A 20051229

Title: Surface chemical modification of waxy maize starch nanocrystals.

Journal: Langmuir : the ACS journal of surfaces and colloids 20050315

Title: Reactivity of organolanthanide and organolithium complexes containing the guanidinate ligands toward isocyanate or carbodiimide: synthesis and crystal structures.

Journal: Inorganic chemistry 20050207

Title: Determination of aliphatic alcohols after on-line microwave-assisted derivatization by liquid chromatography-photodiode array detection.

Journal: Talanta 20041215

Title: Terminal titanium-ligand multiple bonds. Cleavages of C=O and C=S double bonds with Ti imido complexes.

Journal: Inorganic chemistry 20041018

Title: Determination of isocyanates in air using 1-(2-methoxyphenyl)piperazine-impregnated filters: long-term sampling performance and field comparison with impingers with dibutylamine.

Journal: The Annals of occupational hygiene 20040701

Title: Reactivity of molybdenum and rhenium hydroxo-carbonyl complexes toward organic electrophiles.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20040402

Title: MMNTP-a new tailor-made modular derivatization agent for the selective determination of isocyanates and diisocyanates.

Journal: The Analyst 20040401

Title: Metal-induced coordination inversion and carbon-nitrogen bond rearrangement. Structurally characterized phenyl isocyanate inserted into aluminum methyl compounds and O- and N-bound aluminum compounds.

Journal: Inorganic chemistry 20040322

Title: Time-resolved IR detection and study of an iminooxirane intermediate.

Journal: Organic letters 20040205

Title: Isolation of poly(propylene glycol)s from water for quantitative analysis by reversed-phase liquid chromatography.

Journal: Journal of chromatography. A 20031222

Title: Requirement of a carbon spacer in benzyl isothiocyanate-mediated cytotoxicity and MAPK activation in head and neck squamous cell carcinoma.

Journal: Carcinogenesis 20031001

Title: Reversed-phase liquid chromatographic method for the analysis of aminoglycoside antibiotics using pre-column derivatization with phenylisocyanate.

Journal: Biomedical chromatography : BMC 20030901

Title: Size-exclusion capillary electrochromatographic separation of polysaccharides using polymeric stationary phases.

Journal: Electrophoresis 20030601

Title: Design and synthesis of some new derivatives of 3H-quinazolin-4-one with promising anticonvulsant activity.

Journal: Acta pharmaceutica (Zagreb, Croatia) 20030601

Title: Effects of thermal degradation products from polyurethane foams based on toluene diisocyanate and diphenylmethane diisocyanate on isolated, perfused lung of guinea pig.

Journal: Scandinavian journal of work, environment & health 20030401

Title: Investigation of the competitive rate of derivatization of several secondary amines with phenylisocyanate (PHI), hexamethylene-1,6-diisocyanate (HDI), 4,4'-methylenebis(phenyl isocyanate) (MDI) and toluene diisocyanate (TDI) in liquid medium.

Journal: The Analyst 20030201

Title: Characterization of polyethylene glycols and polypropylene glycols by capillary zone electrophoresis and micellar electrokinetic chromatography.

Journal: Journal of chromatography. A 20030124

Title: Quantitative analysis of modified proteins by LC-MS/MS of peptides labeled with phenyl isocyanate.

Journal: Journal of proteome research 20030101

Title: Crab shell chitin whiskers reinforced natural rubber nanocomposites. 3. Effect of chemical modification of chitin whiskers.

Journal: Biomacromolecules 20030101

Title: 4-Nitro-7-piperazino-2,1,3-benzoxadiazole as a reagent for monitoring of airborne isocyanates by liquid chromatography.

Journal: Analytical chemistry 20021215

Title: Novel synthesis of 2-chloroquinolines from 2-vinylanilines in nitrile solvent.

Journal: The Journal of organic chemistry 20021101

Title: Diphosphanylketenimines: new reagents for the synthesis of unique phosphorus heterocycles.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20020902

Title: Application of size exclusion electrochromatography to the microanalytical determination of the molecular mass distribution of celluloses from objects of cultural and historical value.

Journal: Analytical chemistry 20020515

Title: Preparation of (R) and (S) alpha methyldopa from a chiral hydantoin containing the alpha phenylethyl group.

Journal: Chirality 20020101

Title: Enols of amides. The effect of fluorine substituents in the ester groups of dicarboalkoxyanilidomethanes on the enol/amide and E-enol/Z-enol ratios. A multinuclei NMR study.

Journal: The Journal of organic chemistry 20011214

Title: Development of liquid chromatographic method for the analysis of kanamycin residues in varicella vaccine using phenylisocyanate as a derivatization reagent.

Journal: Journal of chromatography. B, Biomedical sciences and applications 20010305

Title: Exposure to chemical agents in Swedish aluminum foundries and aluminum remelting plants--a comprehensive survey.

Journal: Applied occupational and environmental hygiene 20010101

Title: Preparation of a 990-member chemical compound library of hydantoin- and isoxazoline-containing heterocycles using multipin technology.

Journal: Journal of combinatorial chemistry 20010101

Title: Phenyl isocyanate is a potent chemical sensitizer.

Journal: Toxicology letters 19961216

Title: Diisocyanate antigens that detect specific antibodies in exposed workers and guinea pigs.

Journal: Chemical research in toxicology 19880101

Title: Use of hexyl isocyanate antigen to detect antibodies to hexamethylene diisocyanate (HDI) in sensitized guinea pigs and in a sensitized worker.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology 19820101

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Tags:103-71-9 Molecular Formula|103-71-9 MDL|103-71-9 SMILES|103-71-9 Phenyl isocyanate