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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5F3N2
Molecular Weight 186.1339
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-2-(TRIFLUOROMETHYL)BENZONITRILE

SMILES

NC1=CC=C(C#N)C(=C1)C(F)(F)F

InChI

InChIKey=PMDYLCUKSLBUHO-UHFFFAOYSA-N
InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2

HIDE SMILES / InChI

Molecular Formula C8H5F3N2
Molecular Weight 186.1339
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 01:43:20 UTC 2023
Edited
by admin
on Sat Dec 16 01:43:20 UTC 2023
Record UNII
L47D9XHC08
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-2-(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
5-AMINO-2-CYANOBENZOTRIFLUORIDE
Common Name English
O-TOLUNITRILE, 4-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
Common Name English
BENZONITRILE, 4-AMINO-2-(TRIFLUOROMETHYL)-
Systematic Name English
BICALUTAMIDE AMINOBENZONITRILE
Common Name English
2-TRIFLUOROMETHYL-4-AMINOBENZONITRILE
Systematic Name English
BICALUTAMIDE IMPURITY D [EP IMPURITY]
Common Name English
4-CYANO-3-(TRIFLUOROMETHYL)ANILINE
Systematic Name English
4-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-O-TOLUNITRILE
Common Name English
Code System Code Type Description
FDA UNII
L47D9XHC08
Created by admin on Sat Dec 16 01:43:20 UTC 2023 , Edited by admin on Sat Dec 16 01:43:20 UTC 2023
PRIMARY
PUBCHEM
522170
Created by admin on Sat Dec 16 01:43:20 UTC 2023 , Edited by admin on Sat Dec 16 01:43:20 UTC 2023
PRIMARY
WIKIPEDIA
4-Amino-2-(trifluoromethyl)benzonitrile
Created by admin on Sat Dec 16 01:43:20 UTC 2023 , Edited by admin on Sat Dec 16 01:43:20 UTC 2023
PRIMARY
CAS
654-70-6
Created by admin on Sat Dec 16 01:43:20 UTC 2023 , Edited by admin on Sat Dec 16 01:43:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID80215711
Created by admin on Sat Dec 16 01:43:20 UTC 2023 , Edited by admin on Sat Dec 16 01:43:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP