Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H4ClNO |
| Molecular Weight | 153.566 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
ClC1=CC=C(C=C1)N=C=O
InChI
InChIKey=ADAKRBAJFHTIEW-UHFFFAOYSA-N
InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
| Molecular Formula | C7H4ClNO |
| Molecular Weight | 153.566 |
| 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 |
|---|---|---|
| 5-(4-Chloro-phen-yl)-6-isopropyl-5,6-dihydro-4H-pyrrolo-[3,4-c]isoxazole. | 2010-09-04 |
|
| Characterization of cytochrome P450-mediated bioactivation of a compound containing the chemical scaffold, 4,5-dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide), to a chemically reactive p-chlorophenyl isocyanate intermediate in human liver microsomes. | 2009-09 |
|
| 3,3'-Bis(4-chloro-phen-yl)-2,2'-(m-phenyl-enedi-oxy)diquinazolin-4(3H)-one. | 2008-12-10 |
|
| 2-(4-Chloro-anilino)-3-(2-hydroxy-ethyl)quinazolin-4(3H)-one. | 2008-11-13 |
|
| Bioactivation of a dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide) scaffold to a putative p-chlorophenyl isocyanate in rat liver microsomes and in vivo in rats. | 2008-05 |
|
| N,N'-Bis(4-chloro-phen-yl)urea. | 2008-04-26 |
|
| Biomarkers for isocyanate exposure: Synthesis of isocyanate DNA adducts. | 2006-12 |
|
| Application of on-line electrochemical derivatization coupled with high-performance liquid chromatography electrospray ionization mass spectrometry for detection and quantitation of (p-chlorophenyl)aniline in biological samples. | 2006-04-01 |
|
| Amino-functionalized ionic liquid as a nucleophilic scavenger in solution phase combinatorial synthesis. | 2005-07-12 |
|
| Preparation, properties, and chemical reactivity of alpha-nitrosulfoximines, chiral analogues of alpha-nitrosulfones. | 2002-05-03 |
|
| Glutathione-dependent metabolism of the antitumor agent sulofenur. Evidence for the formation of p-chlorophenyl isocyanate as a reactive intermediate. | 2002-02 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:12:29 GMT 2025
by
admin
on
Mon Mar 31 21:12:29 GMT 2025
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| Record UNII |
W46XL60WI8
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| Record Status |
Validated (UNII)
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| Record Version |
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