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 3-(TRIFLUOROMETHYL)BENZONITRILE

SMILES

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

InChI

InChIKey=OGOBINRVCUWLGN-UHFFFAOYSA-N
InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)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
Direct quantitative determination of cyanamide by stable isotope dilution gas chromatography-mass spectrometry.
2005 Dec 9
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:18 GMT 2023
Edited
by admin
on Sat Dec 16 07:59:18 GMT 2023
Record UNII
Y7ZD7DK3AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
M-(TRIFLUOROMETHYL)CYANOBENZENE
Systematic Name English
NSC-88314
Code English
BENZONITRILE, 3-(TRIFLUOROMETHYL)-
Systematic Name English
M-TOLUNITRILE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
Systematic Name English
ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUNITRILE
Systematic Name English
1-CYANO-3-(TRIFLUOROMETHYL)BENZENE
Systematic Name English
M-(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
206-711-4
Created by admin on Sat Dec 16 07:59:18 GMT 2023 , Edited by admin on Sat Dec 16 07:59:18 GMT 2023
PRIMARY
CAS
368-77-4
Created by admin on Sat Dec 16 07:59:18 GMT 2023 , Edited by admin on Sat Dec 16 07:59:18 GMT 2023
PRIMARY
NSC
88314
Created by admin on Sat Dec 16 07:59:18 GMT 2023 , Edited by admin on Sat Dec 16 07:59:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID4022026
Created by admin on Sat Dec 16 07:59:18 GMT 2023 , Edited by admin on Sat Dec 16 07:59:18 GMT 2023
PRIMARY
PUBCHEM
67783
Created by admin on Sat Dec 16 07:59:18 GMT 2023 , Edited by admin on Sat Dec 16 07:59:18 GMT 2023
PRIMARY
FDA UNII
Y7ZD7DK3AY
Created by admin on Sat Dec 16 07:59:18 GMT 2023 , Edited by admin on Sat Dec 16 07:59:18 GMT 2023
PRIMARY