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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5ClF3N
Molecular Weight 195.57
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-4-TRIFLUOROMETHYLANILINE

SMILES

NC1=CC=C(C=C1Cl)C(F)(F)F

InChI

InChIKey=MBBUTABXEITVNY-UHFFFAOYSA-N
InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2

HIDE SMILES / InChI

Molecular Formula C7H5ClF3N
Molecular Weight 195.57
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 12:26:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:13 GMT 2023
Record UNII
D67KX3WQ3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-4-TRIFLUOROMETHYLANILINE
Systematic Name English
2-CHLORO-4-(TRIFLUOROMETHYL)BENZENAMINE
Systematic Name English
BENZENAMINE, 2-CHLORO-4-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30192922
Created by admin on Sat Dec 16 12:26:14 GMT 2023 , Edited by admin on Sat Dec 16 12:26:14 GMT 2023
PRIMARY
FDA UNII
D67KX3WQ3Z
Created by admin on Sat Dec 16 12:26:14 GMT 2023 , Edited by admin on Sat Dec 16 12:26:14 GMT 2023
PRIMARY
PUBCHEM
162001
Created by admin on Sat Dec 16 12:26:14 GMT 2023 , Edited by admin on Sat Dec 16 12:26:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-674-8
Created by admin on Sat Dec 16 12:26:14 GMT 2023 , Edited by admin on Sat Dec 16 12:26:14 GMT 2023
PRIMARY
CAS
39885-50-2
Created by admin on Sat Dec 16 12:26:14 GMT 2023 , Edited by admin on Sat Dec 16 12:26:14 GMT 2023
PRIMARY