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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClN
Molecular Weight 137.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLOROBENZONITRILE

SMILES

ClC1=CC=C(C=C1)C#N

InChI

InChIKey=GJNGXPDXRVXSEH-UHFFFAOYSA-N
InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4ClN
Molecular Weight 137.566
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
On the dissociation of aromatic radical anions in solution.
2003 Jan 13
The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene.
2005 May 21
Purification and characterization of a nitrilase from Aspergillus niger K10.
2006 Dec
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.
2008
Effects of ion-pairing and hydration on the SNAr reaction of the F- with p-chlorobenzonitrile in aprotic solvents.
2008 Feb 28
4-Chloro-benzothio-amide.
2009 Apr 25
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:54:43 GMT 2023
Edited
by admin
on Sat Dec 16 05:54:43 GMT 2023
Record UNII
4Z0HGP3A8A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLOROBENZONITRILE
Systematic Name English
BENZONITRILE, 4-CHLORO-
Systematic Name English
BENZONITRILE, P-CHLORO-
Common Name English
NSC-6111
Code English
1-CHLORO-4-BENZONITRILE
Common Name English
P-CHLOROCYANOBENZENE
Common Name English
4-CYANOPHENYL CHLORID
Common Name English
1-CYANO-4-CHLOROBENZENE
Systematic Name English
P-CYANOCHLOROBENZENE
Common Name English
P-CHLOROBENZONITRILE
Common Name English
1-CHLORO-4-CYANOBENZENE
Systematic Name English
Code System Code Type Description
FDA UNII
4Z0HGP3A8A
Created by admin on Sat Dec 16 05:54:43 GMT 2023 , Edited by admin on Sat Dec 16 05:54:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID8044703
Created by admin on Sat Dec 16 05:54:43 GMT 2023 , Edited by admin on Sat Dec 16 05:54:43 GMT 2023
PRIMARY
PUBCHEM
12163
Created by admin on Sat Dec 16 05:54:43 GMT 2023 , Edited by admin on Sat Dec 16 05:54:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-765-4
Created by admin on Sat Dec 16 05:54:43 GMT 2023 , Edited by admin on Sat Dec 16 05:54:43 GMT 2023
PRIMARY
NSC
6111
Created by admin on Sat Dec 16 05:54:43 GMT 2023 , Edited by admin on Sat Dec 16 05:54:43 GMT 2023
PRIMARY
CAS
623-03-0
Created by admin on Sat Dec 16 05:54:43 GMT 2023 , Edited by admin on Sat Dec 16 05:54:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY