U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4F3N
Molecular Weight 171.1193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(TRIFLUOROMETHYL)BENZONITRILE

SMILES

FC(F)(F)C1=CC=CC=C1C#N

InChI

InChIKey=SOZGHDCEWOLLHV-UHFFFAOYSA-N
InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H

HIDE SMILES / InChI

Molecular Formula C8H4F3N
Molecular Weight 171.1193
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Electron attachment and detachment: electron affinities of isomers of trifluoromethylbenzonitrile.
2004-11-22
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:01:20 GMT 2025
Edited
by admin
on Mon Mar 31 22:01:20 GMT 2025
Record UNII
S2CA842543
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
J196.146B
Preferred Name English
2-(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-O-TOLUNITRILE
Common Name English
2-CYANOBENZOTRIFLUORIDE
Common Name English
BENZONITRILE, 2-(TRIFLUOROMETHYL)-
Systematic Name English
O-(TRIFLUOROMETHYL)CYANOBENZENE
Common Name English
NSC-88312
Code English
O-TOLUNITRILE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
Common Name English
Code System Code Type Description
NSC
88312
Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-184-3
Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025
PRIMARY
CAS
447-60-9
Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID3022031
Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025
PRIMARY
FDA UNII
S2CA842543
Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025
PRIMARY
PUBCHEM
67972
Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025
PRIMARY