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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

2,2',4,4',5-Pentabde-[13C12]

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General Information
Catalog: BLP-008017
Molecular Formula: [13C]12H5Br5O
Molecular Weight: 576.59
Chemical Structure
2,2',4,4',5-Pentabde-[13C12]
Description 2,2',4,4',5-Pentabde-[13C12] is the labelled analogue of BDE-99. BDE-99 is part of a group of polybromatinated diphenyl ethers that are widely used as brominated flame retardants. BDE-99 is suspected to be a toxic substance to humans, causing endocrine mediated effects on the body and possibly causing developmental effects in nursed babies.
Synonyms 2,2',4,4',5-Pentabde-13C12; BDE-99-13C12; 2,2',4,4',5-Pentabromodiphenyl Ether-13C12; 1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene-13C12; 2,2',4,4',5-Pentabromodiphenyl Oxide-13C12; PBDE 99-13C12; Tardex 50-13C12
IUPAC Name 1,2,4-tribromo-5-(2,4-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS 60348-60-9 (unlabelled)
Canonical SMILES C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br
InChI InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChI Key WHPVYXDFIXRKLN-WCGVKTIYSA-N
Purity 98%; 99% atom 13C
Solubility Slightly soluble in Chloroform, Ethyl Acetate
Appearance White to Pale Pink Solid
Storage Store at -20°C under inert atmosphere
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