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2,3,4,7,8-Pentachlorodibenzofuran-[13C12]

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General Information
Catalog: BLP-008035
CAS: 116843-02-8
Molecular Formula: [13C]12H3Cl5O
Molecular Weight: 352.33

Chemical Structure

Synonyms	2,3,4,7,8-Pentachlorodibenzofuran-13C12; 2,3,4,7,8-PCDF-13C12; 2,3,4,7,8-PeCDF-13C12; PCDF 114-13C12; PECDF-13C12; 2,3,4,7,8-pentachlorodibenzo[b,d]furan-13C12
IUPAC Name	2,3,4,7,8-pentachlorodibenzo[b,d]furan-1,2,3,4,4a,5a,6,7,8,9,9a,9b-13C12
Related CAS	57117-31-4 (unlabelled)
Isomeric SMILES	[13CH]1=[13C]2[13C]3=[13CH][13C](=[13C]([13CH]=[13C]3O[13C]2=[13C]([13C](=C1Cl)Cl)Cl)Cl)Cl
Canonical SMILES	C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)Cl)Cl
InChI	InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/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	OGBQILNBLMPPDP-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Acetone (Heated), Benzene
Appearance	White to Off-white Solid
Storage	Store at -20°C under inert atmosphere