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2,4,4'-Tribde-[13C12]

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General Information
Catalog: BLP-008039
Molecular Formula: [13C]12H7Br3O
Molecular Weight: 418.81

Chemical Structure

Description	2,4,4'-Tribde-[13C12] is the labelled analogue of BDE 28. BDE 28 is a polybrominated di-phenyl ether (PBDE) that is used as a flame retardant in plastics and textile materials. It can be found in the adipose tissue and the plasma in humans and animals.
Synonyms	2,4,4'-Tribde-13C12; BDE 28-13C12; 2,4-Dibromo-1-(4-bromophenoxy)benzene-13C12; p-Bromophenyl 2,4-Dibromophenyl Ether-13C12; 2,4,4'-Tribromodiphenyl Ether-13C12; PBDE 28-13C12
IUPAC Name	2,4-dibromo-1-(4-bromo(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	41318-75-6 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)Br)Br
InChI	InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H/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	UPNBETHEXPIWQX-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Pale Yellow Solid
Storage	Store at 2-8°C