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

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General Information
Catalog: BLP-008020
Molecular Formula: [13C]12H6Br4O
Molecular Weight: 497.70

Chemical Structure

Description	2,2',4,4'-Tetrabde-[13C12] is the labelled analogue of 2,4,2',4'-Tetrabromodiphenyl Ether. 2,4,2',4'-Tetrabromodiphenyl Ether is one of the Polybrominated di-Ph ethers (PBDEs), which are a new class of global, persistent and toxic contaminants. It is used as a brominated flame retardant (BFR) in various consumer products.
Synonyms	2,2',4,4'-Tetrabde-13C12; BDE-47-13C12; 2,4,2',4'-Tetrabromodiphenyl Ether-13C12; 2,4-Dibromo-1-(2,4-dibromophenoxy)benzene-13C12; 1,1'-oxybis[2,4-dibromobenzene-13C12; 2,2',4,4'-Tetrabromodiphenyl Oxide-13C12; NSC 21724-13C12; PBDE 47-13C12
IUPAC Name	2,4-dibromo-1-(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	5436-43-1 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
InChI	InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H/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	XYBSIYMGXVUVGY-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Dichloromethane, Methanol (Heated)
Appearance	White to Pale Beige Solid
Storage	Store at 2-8°C