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2,2',3,4,4',5',6-Heptabde-[13C12]

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General Information
Catalog: BLP-008009
Molecular Formula: [13C]12H3Br7O
Molecular Weight: 734.39

Chemical Structure

Synonyms	2,2',3,4,4',5',6-Heptabde-13C12; BDE-183-13C12; 1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)benzene-13C12; 2,2',3,4,4',5',6-Heptabromodiphenyl Ether-13C12; PBDE 183-13C12
IUPAC Name	1,2,3,5-tetrabromo-4-(3,4,6-tribromo(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	207122-16-5 (unlabelled)
Canonical SMILES	C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br
InChI	InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H/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	ILPSCQCLBHQUEM-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Light Yellow Solid
Storage	Store at 2-8°C