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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H2ClF3N2O4
Molecular Weight 270.55
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE

SMILES

[O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=HFHAVERNVFNSHL-UHFFFAOYSA-N
InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

HIDE SMILES / InChI

Molecular Formula C7H2ClF3N2O4
Molecular Weight 270.55
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
High-performance liquid chromatographic method for determination of amino acids by precolumn derivatization with 4-chloro-3,5-dinitrobenzotrifluoride.
2009-11-10
Ion-pairing high-performance liquid chromatography determination of amitrole in apple after solid-phase extraction and precolumn derivatization.
2009-09
Solid-phase extraction and residue determination of glyphosate in apple by ion-pairing reverse-phase liquid chromatography with pre-column derivatization.
2009-07
Determination of amitrole in environmental water samples with precolumn derivatization by high-performance liquid chromatography.
2009-06-10
Residue determination of glyphosate in environmental water samples with high-performance liquid chromatography and UV detection after derivatization with 4-chloro-3,5-dinitrobenzotrifluoride.
2009-03-09
Determination of biogenic amines in beer with pre-column derivatization by high performance liquid chromatography.
2009-02-15
Microtubule inhibitors as a potential treatment for malaria.
2007-08
Flow cytometry analysis of the effect of allopurinol and the dinitroaniline compound (Chloralin) on the viability and proliferation of Leishmania infantum promastigotes.
2001
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:12:24 GMT 2025
Edited
by admin
on Mon Mar 31 19:12:24 GMT 2025
Record UNII
T97IUB50MN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE
HSDB  
Common Name English
NSC-88274
Preferred Name English
TOLUENE, 4-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-3,5-DINITRO-
Systematic Name English
CHLORALIN
Common Name English
1,3-DINITRO-2-CHLORO-5-(TRIFLUOROMETHYL)BENZENE
Systematic Name English
4-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-3,5-DINITROTOLUENE
Systematic Name English
4-CHLORO-3,5-DINITRO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
Systematic Name English
4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE [HSDB]
Common Name English
BENZENE, 2-CHLORO-1,3-DINITRO-5-(TRIFLUOROMETHYL)-
Systematic Name English
1-CHLORO-2,6-DINITRO-4-(TRIFLUOROMETHYL)BENZENE
Systematic Name English
Code System Code Type Description
HSDB
4262
Created by admin on Mon Mar 31 19:12:24 GMT 2025 , Edited by admin on Mon Mar 31 19:12:24 GMT 2025
PRIMARY
NSC
88274
Created by admin on Mon Mar 31 19:12:24 GMT 2025 , Edited by admin on Mon Mar 31 19:12:24 GMT 2025
PRIMARY
FDA UNII
T97IUB50MN
Created by admin on Mon Mar 31 19:12:24 GMT 2025 , Edited by admin on Mon Mar 31 19:12:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
206-889-3
Created by admin on Mon Mar 31 19:12:24 GMT 2025 , Edited by admin on Mon Mar 31 19:12:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID8024781
Created by admin on Mon Mar 31 19:12:24 GMT 2025 , Edited by admin on Mon Mar 31 19:12:24 GMT 2025
PRIMARY
CAS
393-75-9
Created by admin on Mon Mar 31 19:12:24 GMT 2025 , Edited by admin on Mon Mar 31 19:12:24 GMT 2025
PRIMARY
PUBCHEM
9809
Created by admin on Mon Mar 31 19:12:24 GMT 2025 , Edited by admin on Mon Mar 31 19:12:24 GMT 2025
PRIMARY