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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6BrN
Molecular Weight 196.044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Bromomethyl)benzonitrile

SMILES

BrCC1=CC(=CC=C1)C#N

InChI

InChIKey=CVKOOKPNCVYHNY-UHFFFAOYSA-N
InChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6BrN
Molecular Weight 196.044
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 Tue Apr 01 19:17:56 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:56 GMT 2025
Record UNII
VH59MX94H3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-108298
Preferred Name English
3-(Bromomethyl)benzonitrile
Systematic Name English
Benzonitrile, 3-(bromomethyl)-
Systematic Name English
3-Cyanobenzyl bromide
Systematic Name English
Code System Code Type Description
NSC
108298
Created by admin on Tue Apr 01 19:17:56 GMT 2025 , Edited by admin on Tue Apr 01 19:17:56 GMT 2025
PRIMARY
FDA UNII
VH59MX94H3
Created by admin on Tue Apr 01 19:17:56 GMT 2025 , Edited by admin on Tue Apr 01 19:17:56 GMT 2025
PRIMARY
PUBCHEM
97249
Created by admin on Tue Apr 01 19:17:56 GMT 2025 , Edited by admin on Tue Apr 01 19:17:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
248-890-1
Created by admin on Tue Apr 01 19:17:56 GMT 2025 , Edited by admin on Tue Apr 01 19:17:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID8067363
Created by admin on Tue Apr 01 19:17:56 GMT 2025 , Edited by admin on Tue Apr 01 19:17:56 GMT 2025
PRIMARY
CAS
28188-41-2
Created by admin on Tue Apr 01 19:17:56 GMT 2025 , Edited by admin on Tue Apr 01 19:17:56 GMT 2025
PRIMARY