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2,2',3,4,4',6-Hexabde-[13C12]

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General Information
Catalog: BLP-008012
Molecular Formula: [13C]12H4Br6O
Molecular Weight: 655.50

Chemical Structure

Synonyms	2,2',3,4,4',6-Hexabde-13C12; BDE 139-13C12; PBDE 139-13C12; 1,2,3,5-Tetrabromo-4-(2,4-dibromophenoxy)benzene-13C12; 2,2',3,4,4',6-Hexabromodiphenyl Ether-13C12
IUPAC Name	1,2,3,5-tetrabromo-4-(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	446254-96-2 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br
InChI	InChI=1S/C12H4Br6O/c13-5-1-2-9(6(14)3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4H/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	YESDYWNWEVPOLZ-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Soluble in Nonane
Storage	Store at 2-8°C