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2,3,7,8-Tetrabromodibenzo-p-dioxin-[13C12]

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General Information
Catalog: BLP-008038
CAS: 125749-35-1
Molecular Formula: [13C]12H4Br4O2
Molecular Weight: 511.69

Chemical Structure

Synonyms	2,3,7,8-Tetrabromodibenzo-p-dioxin-13C12; 2,3,7,8-Tetrabromodibenzo[b,e][1,4]dioxin-13C12; 2,3,7,8-Tetrabromodibenzodioxin-13C12; 2,3,7,8-TeBDD-13C12; 2,3,7,8-TBDD-13C12
IUPAC Name	2,3,7,8-tetrabromodibenzo[b,e][1,4]dioxine-1,2,3,4,4a,5a,6,7,8,9,9a,10a-13C12
Related CAS	50585-41-6 (unlabelled)
Isomeric SMILES	[13CH]1=[13C]2[13C](=[13CH][13C](=[13C]1Br)Br)O[13C]3=[13CH][13C](=[13C]([13CH]=[13C]3O2)Br)Br
Canonical SMILES	C1=C2C(=CC(=C1Br)Br)OC3=CC(=C(C=C3O2)Br)Br
InChI	InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/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	JZLQUWSWOJPCAK-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Soluble in Nonane
Storage	Store at 2-8°C