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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClN
Molecular Weight 151.593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Chloromethyl)benzonitrile

SMILES

ClCC1=CC=C(C=C1)C#N

InChI

InChIKey=LOQLDQJTSMKBJU-UHFFFAOYSA-N
InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6ClN
Molecular Weight 151.593
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:05:42 GMT 2025
Edited
by admin
on Mon Mar 31 22:05:42 GMT 2025
Record UNII
ES52GBM5WR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Chloromethyl)benzonitrile
Systematic Name English
NSC-44855
Preferred Name English
Benzonitrile, 4-(chloromethyl)-
Systematic Name English
(4-Cyanophenyl)methyl chloride
Systematic Name English
NSC-6307
Code English
p-Tolunitrile, ?-chloro-
Systematic Name English
Code System Code Type Description
FDA UNII
ES52GBM5WR
Created by admin on Mon Mar 31 22:05:42 GMT 2025 , Edited by admin on Mon Mar 31 22:05:42 GMT 2025
PRIMARY
NSC
6307
Created by admin on Mon Mar 31 22:05:42 GMT 2025 , Edited by admin on Mon Mar 31 22:05:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID20236329
Created by admin on Mon Mar 31 22:05:42 GMT 2025 , Edited by admin on Mon Mar 31 22:05:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-869-5
Created by admin on Mon Mar 31 22:05:42 GMT 2025 , Edited by admin on Mon Mar 31 22:05:42 GMT 2025
PRIMARY
CAS
874-86-2
Created by admin on Mon Mar 31 22:05:42 GMT 2025 , Edited by admin on Mon Mar 31 22:05:42 GMT 2025
PRIMARY
PUBCHEM
70127
Created by admin on Mon Mar 31 22:05:42 GMT 2025 , Edited by admin on Mon Mar 31 22:05:42 GMT 2025
PRIMARY
NSC
44855
Created by admin on Mon Mar 31 22:05:42 GMT 2025 , Edited by admin on Mon Mar 31 22:05:42 GMT 2025
PRIMARY