Bromethalin
Bromethalin Structure
Systematic / IUPAC Name: N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
ID: Reference13328
Other Names:
Bromethaline;
Vengeance;
2,4,6-Tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline;
4,6-Dinitro-N-methyl-N-(2,4,6-tribromophenyl)-α,α,α-trifluoro-o-toluidine;
α,α,α-Trifluoro-N-methyl-4,6-dinitro-N-(2,4,6-tribromophenyl)-o-toluidine
; more
Formula: C14H7Br3F3N3O4
Class: Pesticides/Herbicides
Spectral Data
Bromethalin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 2 |
| No. of Spectra | 1274 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/28/2025 10:44:39 AM |
Identificators
| InChI | InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3 |
| InChI Key | USMZPYXTVKAYST-UHFFFAOYSA-N |
| Canonical SMILES | CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)Br)Br |
| CAS | |
| Splash | |
| Other Names |
Bromethaline; Vengeance; 2,4,6-Tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline; 4,6-Dinitro-N-methyl-N-(2,4,6-tribromophenyl)-α,α,α-trifluoro-o-toluidine; α,α,α-Trifluoro-N-methyl-4,6-dinitro-N-(2,4,6-tribromophenyl)-o-toluidine; Benzenamine, 2,4-dinitro-N-methyl-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-; Benzenamine,N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-; N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)benzenamine; N-Methyl-2,4-dinitro-N-2,4,6-tribromophenyl(-6)trifluoromethylbenzeneamine; o-Toluidine, 4,6-dinitro-N-methyl-N-(2,4,6-tribromophenyl)-α,α,α-trifluoro-; AA-1569 |
In Other Databases
| ChemSpider | 40463 |
| Wikipedia | Bromethalin |
| ChEBI | CHEBI:81895 |
| PubChem | 44465 |
| KEGG | C18697 |
| ChEMBL | CHEMBL1901818 |