PHENYLISOCYANATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NO
Molecular Weight	119.1207
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C=NC1=CC=CC=C1

InChI

InChIKey=DGTNSSLYPYDJGL-UHFFFAOYSA-N

InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

HIDE SMILES / InChI

Molecular Formula	C7H5NO
Molecular Weight	119.1207
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Diphenylthiourea, a common rubber chemical, is bioactivated to potent skin sensitizers.	2011-01-14	21073181
N-Phenyl-morpholine-4-carboxamide.	2010-12-24	21522724
Structure and dynamic features of an intramolecular frustrated Lewis pair.	2010-12-17	20981668
2-Anilino-3-(2-hy-droxy-phen-yl)quinazolin-4(3H)-one-triphenyl-phosphine oxide (1/1).	2010-09-08	21587516
Cyclo-hexane-1,3-diyl bis-(N-phenyl-carbamate).	2010-08-28	21588737
Addition reactions to the intramolecular mesityl2P-CH2-CH2-B(C6F5)2 frustrated Lewis pair.	2010-08-28	20617234
3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thio-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.	2010-08-25	21588734
2-Anilino-3-(2-hy-droxy-phen-yl)quinazolin-4(3H)-one methanol monosolvate.	2010-08-11	21588596
Ethyl (2,5-dioxo-1-phenyl-2,3-dihydro-1H,5H-1-benzofuro[3,2-d]imidazo[1,2-a]pyrimidin-3-yl)acetate.	2010-07-31	21588454
The roots of bioinformatics in protein evolution.	2010-07-29	20686682
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.	2010-07-24	21588410
2-[2-(2-Anilino-4-oxo-3,4-dihydro-quinazolin-3-yl)phen-oxy]-3-phenyl-quinazolin-4(3H)-one methanol hemisolvate.	2010-07-21	21588376
Synthesis and properties of chiral pyrazolidines derived from (+)-pulegone.	2010-07-05	20496356
2-(4-Methyl-cyclo-hex-3-en-yl)propan-2-yl N-phenyl-carbamate.	2010-07-03	21588225
Facile double-lithiation of a transient urea: vicarious ortho-metalation of aniline derivatives.	2010-07-02	20527906
Latent enamine functionality of 5-methyl-2,3-dihydropyrazines.	2010-07	20606338
Preparation and enantioseparation of a mixed selector chiral stationary phase derived from benzoylated tartaric acid and 1,2-diphenylethylenediamine.	2010-06	19899156
Synthesis, characterization, and in vitro antimicrobial activities of 5-alkenyl/hydroxyalkenyl-2-phenylamine-1,3,4-oxadiazoles and thiadiazoles.	2010-03-15	20172722
A new general pathway for synthesis of reference compounds of N-terminal valine-isocyanate adducts.	2010-03-15	20085231
Synthesis and cyclisation of 1,4-disubstituted semicarbazides.	2010-03	20221937
Synthesis of new glycosyl biuret and urea derivatives as potential glycoenzyme inhibitors.	2010-01-26	20004366
Isocyanate diinsertion into the N-H bond of the 2-pyridylamino ligand of organolanthanides.	2010-01-07	20023953
Analytical characterization of PEG polymers by MEKC.	2010-01	20094992
Towards defining molecular determinants recognized by adaptive immunity in allergic disease: an inventory of the available data.	2010	21403821
Synthesis of new imidazolidin-2,4-dione and 2-thioxoimidazolidin-4-ones via C-phenylglycine derivatives.	2009-12-30	20110877
Cholest-5-en-3β-yl N-phenyl-carbamate.	2009-11-28	21578937
Recent advances in synthetic bioelastomers.	2009-11-20	20057942
Ethyl 2-isopropyl-amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxyl-ate.	2009-11-04	21578733
3-(2-Amino-ethyl)-2-anilinoquinazolin-4(3H)-one methanol hemisolvate.	2009-11-04	21578729
c-3,t-3-Dimethyl-4-oxo-r-2,c-6-diphenyl-piperidine-1-carboxamide.	2009-10-23	21578400
Ethyl 5-methyl-4-oxo-3-phenyl-2-propyl-amino-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxyl-ate.	2009-08-29	21577661
Suicide nucleophilic attack: reactions of benzohydroxamate anion with bis(2,4-dinitrophenyl) phosphate.	2009-07-17	19459594
Analysis of aminoglycoside residues in bovine milk by liquid chromatography electrospray ion trap mass spectrometry after derivatization with phenyl isocyanate.	2009-05-15	19345161
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.	2009-05-01	19303235
2-Methyl-1,2,3,4-tetra-hydro-isoquinolin-6-yl N-phenyl-carbamate.	2009-04-18	21583875
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.	2009-04	18655165
Synthesis and structures of titanium and yttrium complexes with N,N'-tetramethylguanidinate ligands: different reactivity of the M-N bonds toward phenyl isocyanate.	2009-03-14	19240915
Copper(II) Nanoballs as monomers for polyurethane coatings: synthesis, urethane derivatization and kinetic stability.	2009-02-28	19462657
Synthesis and antiproliferative activity of 3-amino-N-phenyl-1H-indazole-1-carboxamides.	2009-01	18485541
Validation of transferability of DBA derivatization and LC-MS/MS determination method for isocyanates via an interlaboratory comparison.	2008-11	18812390
Aniline in hydrolyzed urine and plasma--possible biomarkers for phenylisocyanate exposure.	2008-10	18666023
In vitro biologic activities of the antimicrobials triclocarban, its analogs, and triclosan in bioassay screens: receptor-based bioassay screens.	2008-09	18795164
Rapid characterization of fatty alcohol ethoxylates by non-aqueous capillary electrophoresis.	2008-07	18576365
Oxygen-atom transfer from carbon dioxide to a Fischer carbene at (PNP)Ir.	2008-05-07	18410098
Active single-drop microextraction for the determination of gaseous diisocyanates.	2008-03-28	18291409
Photochemistry of 5-allyloxy-tetrazoles: steady-state and laser flash photolysis study.	2008-03-21	18327330
Hsf1 activation inhibits rapamycin resistance and TOR signaling in yeast revealed by combined proteomic and genetic analysis.	2008-02-13	18270585
Metallocene antimalarials: the continuing quest.	2008	18274662
3,3'-Diphenyl-1,1'-[2,2'-oxybis(2,1-phenyl-ene)]diurea N,N-dimethyl-formamide disolvate.	2007-12-18	21200869
Determination of aliphatic alcohols after on-line microwave-assisted derivatization by liquid chromatography-photodiode array detection.	2004-12-15	18969749

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:55:31 GMT 2025` Edited by `admin` on `Mon Mar 31 17:55:31 GMT 2025`
Record UNII	196GO6BSOH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENYLISOCYANATE

Systematic Name

English

PHENYL ISOCYANATE

Preferred Name

English

PHENYL ISOCYANATE [MI]

Common Name

English

PHENYL ISOCYANATE [HSDB]

Common Name

English

NSC-74454

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

203-137-6