Product Code
TRC-D291200
CAS Number
Product Format
Neat
Molecular Formula
C13 H5 Br3 F3 N3 O4
Molecular Weight
563.90
Product Categories
TRC, Environmental Toxicology Reference Materials , Pesticide and Metabolite Reference Materials , Pesticide & Metabolite Reference Materials and Research Chemicals
Product Type
MetabolitePurity
>95% (HPLC)
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Analyte Name
Desmethyl Bromethalin
CAS Number
57729-86-9
Molecular Formula
C13 H5 Br3 F3 N3 O4
Molecular Weight
563.90
Accurate Mass
560.7782
SMILES
[O-][N+](=O)c1cc(c(Nc2c(Br)cc(Br)cc2Br)c(c1)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H5Br3F3N3O4/c14-5-1-8(15)12(9(16)2-5)20-11-7(13(17,18)19)3-6(21(23)24)4-10(11)22(25)26/h1-4,20H
IUPAC
2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Purity
>95% (HPLC)
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