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3,3',4,4',5-Pentacb-[13C12]

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General Information
Catalog: BLP-008089
CAS: 208263-65-4
Molecular Formula: [13C]12H5Cl5
Molecular Weight: 338.35

Chemical Structure

Synonyms	3,3',4,4',5-Pentacb-13C12; 3,3',4,4',5-Pentachlorobiphenyl-13C12; 3,3',4,4',5-Pentachloro-1,1'-biphenyl-13C12; 3,4,3',4',5'-Pentachlorobiphenyl-13C12; PCB 126-13C12; PnCP 176-13C12; Polychlorinated biphenyl-126-13C12
IUPAC Name	1,2,3-trichloro-5-(3,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS	57465-28-8 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl
InChI	InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H/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	REHONNLQRWTIFF-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C