Product Code

TRC-D291200

CAS Number

57729-86-9

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 , Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite, Contaminant

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time

Freight restricted.

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Documentation

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Product Information

Chemical Data

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

Product Data

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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Desmethyl Bromethalin

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