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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 2-(Chloromethyl)benzonitrile

SMILES

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

InChI

InChIKey=ZSHNOXOGXHXLAV-UHFFFAOYSA-N
InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/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 Sat Dec 16 12:00:34 GMT 2023
Edited
by admin
on Sat Dec 16 12:00:34 GMT 2023
Record UNII
XEH7PYD76C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Chloromethyl)benzonitrile
Systematic Name English
NSC-102157
Code English
Benzonitrile, 2-(chloromethyl)-
Systematic Name English
alpha-Chloro-o-tolunitrile
Systematic Name English
o-(Chloromethyl)benzonitrile
Systematic Name English
o-Tolunitrile, alpha-chloro-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70210098
Created by admin on Sat Dec 16 12:00:34 GMT 2023 , Edited by admin on Sat Dec 16 12:00:34 GMT 2023
PRIMARY
FDA UNII
XEH7PYD76C
Created by admin on Sat Dec 16 12:00:34 GMT 2023 , Edited by admin on Sat Dec 16 12:00:34 GMT 2023
PRIMARY
NSC
102157
Created by admin on Sat Dec 16 12:00:34 GMT 2023 , Edited by admin on Sat Dec 16 12:00:34 GMT 2023
PRIMARY
CAS
612-13-5
Created by admin on Sat Dec 16 12:00:34 GMT 2023 , Edited by admin on Sat Dec 16 12:00:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-292-3
Created by admin on Sat Dec 16 12:00:34 GMT 2023 , Edited by admin on Sat Dec 16 12:00:34 GMT 2023
PRIMARY
PUBCHEM
69152
Created by admin on Sat Dec 16 12:00:34 GMT 2023 , Edited by admin on Sat Dec 16 12:00:34 GMT 2023
PRIMARY