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1,2,3,7,8-Pentachlorodibenzo-p-dioxin-[13C12]

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General Information
Catalog: BLP-007975
CAS: 109719-79-1
Molecular Formula: [13C]12H3Cl5O2
Molecular Weight: 368.33

Chemical Structure

Synonyms	1,2,3,7,8-Pentachlorodibenzo-p-dioxin-13C12; 1,2,3,7,8-Pentachlorodibenzodioxin-13C12; 1,2,3,7,8-Pentachlorodibenzo(b,e)(1,4)dioxin-13C12; 1,2,3,7,8-PeCDD-13C12; PCDD 54-13C12
IUPAC Name	1,2,3,7,8-pentachlorodibenzo[b,e][1,4]dioxine-1,2,3,4,4a,5a,6,7,8,9,9a,10a-13C12
Related CAS	40321-76-4 (unlabelled)
Canonical SMILES	C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl
InChI	InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/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	FSPZPQQWDODWAU-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Soluble in Nonane; Slightly soluble in Chloroform (Very Heated)
Appearance	Off-white to Pale Yellow Solid
Storage	Store at 2-8°C under inert atmosphere