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BDE 209-[13C12]

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General Information
Catalog: BLP-003397
CAS: 562099-68-7
Molecular Formula: [13C]12Br10O
Molecular Weight: 971.08

Chemical Structure

Description	BDE 209-[13C12] is a labelled form of BDE 209. Decabromodiphenyl is a common brominated flame retardant used in plastics/polymers/composites, textiles, adhesives, sealants, coatings and inks.
Synonyms	1,2,3,4,5-pentabromo-6-[pentabromo(1,2,3,4,5,6-13C6)phenoxy](1,2,3,4,5,6-13C6)benzene; PBDE 209 (13C12); Decabromodiphenyl ether (13C12)
IUPAC Name	1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromo(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	1163-19-5 (unlabelled)
Isomeric SMILES	[13C]1(=[13C]([13C](=[13C]([13C](=[13C]1Br)Br)Br)Br)Br)O[13C]2=[13C]([13C](=[13C]([13C](=[13C]2Br)Br)Br)Br)Br
Canonical SMILES	C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI	InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22/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	WHHGLZMJPXIBIX-WCGVKTIYSA-N