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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
Structure of P-CHLOROPHENYL ISOCYANATE

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

HIDE SMILES / InChI

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

PubMed

TitleDatePubMed
Glutathione-dependent metabolism of the antitumor agent sulofenur. Evidence for the formation of p-chlorophenyl isocyanate as a reactive intermediate.
2002 Feb
Preparation, properties, and chemical reactivity of alpha-nitrosulfoximines, chiral analogues of alpha-nitrosulfones.
2002 May 3
N,N'-Bis(4-chloro-phen-yl)urea.
2008 Apr 26
3,3'-Bis(4-chloro-phen-yl)-2,2'-(m-phenyl-enedi-oxy)diquinazolin-4(3H)-one.
2008 Dec 10
2-(4-Chloro-anilino)-3-(2-hydroxy-ethyl)quinazolin-4(3H)-one.
2008 Nov 13
5-(4-Chloro-phen-yl)-6-isopropyl-5,6-dihydro-4H-pyrrolo-[3,4-c]isoxazole.
2010 Sep 4
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:17:28 GMT 2023
Edited
by admin
on Sat Dec 16 02:17:28 GMT 2023
Record UNII
W46XL60WI8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-CHLOROPHENYL ISOCYANATE
Common Name English
NSC-76589
Code English
4-CHLOROISOCYANATOBENZENE
Systematic Name English
4-CHLOROPHENYL ISOCYANATE
Systematic Name English
ISOCYANIC ACID, P-CHLOROPHENYL ESTER
Common Name English
BENZENE, 1-CHLORO-4-ISOCYANATO-
Systematic Name English
Code System Code Type Description
NSC
76589
Created by admin on Sat Dec 16 02:17:28 GMT 2023 , Edited by admin on Sat Dec 16 02:17:28 GMT 2023
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HSDB
1331
Created by admin on Sat Dec 16 02:17:28 GMT 2023 , Edited by admin on Sat Dec 16 02:17:28 GMT 2023
PRIMARY
CAS
104-12-1
Created by admin on Sat Dec 16 02:17:28 GMT 2023 , Edited by admin on Sat Dec 16 02:17:28 GMT 2023
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FDA UNII
W46XL60WI8
Created by admin on Sat Dec 16 02:17:28 GMT 2023 , Edited by admin on Sat Dec 16 02:17:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID7040732
Created by admin on Sat Dec 16 02:17:28 GMT 2023 , Edited by admin on Sat Dec 16 02:17:28 GMT 2023
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PUBCHEM
7693
Created by admin on Sat Dec 16 02:17:28 GMT 2023 , Edited by admin on Sat Dec 16 02:17:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-176-9
Created by admin on Sat Dec 16 02:17:28 GMT 2023 , Edited by admin on Sat Dec 16 02:17:28 GMT 2023
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