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Product Overview

Product Code

TRC-D291202

Product Format

Neat

Molecular Formula

13C6 C7 H5 Br3 F3 N3 O4

Molecular Weight

569.86

Product Categories

TRC, Pesticide & Metabolite Reference Materials and Research Chemicals , Pesticide and Metabolite Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Contaminant

Unlabelled CAS Number

57729-86-9

Documentation

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Product Information

Chemical Data

Analyte Name

Desmethyl Bromethalin-13C6

Molecular Formula

13C6 C7 H5 Br3 F3 N3 O4

Molecular Weight

569.86

Accurate Mass

566.798

SMILES

[O-][N+](=O)c1cc(c(N[13c]2[13c](Br)[13cH][13c](Br)[13cH][13c]2Br)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/i1+1,2+1,5+1,8+1,9+1,12+1

IUPAC

2,4-dinitro-N-(2,4,6-tribromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-6-(trifluoromethyl)aniline

Unlabelled CAS Number

57729-86-9

SIL Type

Carbon

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Transport Restrictions

Cargo Aircaft Only Air Excepted Air Dangerous

Product Format

Neat

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