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

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General Information
Catalog: BLP-008095
CAS: 208461-24-9
Molecular Formula: [13C]12H6Cl4
Molecular Weight: 303.90

Chemical Structure

Synonyms	3,4,4',5-Tetracb-13C12; 3,4,4',5-Tetrachlorobiphenyl-13C12; 3,4,4',5-Tetrachloro-1,1'-biphenyl-13C12; 3,4,4',5-TeCB-13C12; 3,4,5,4'-Tetrachlorobiphenyl-13C12; PCB 81-13C12; Polychlorinated biphenyl-81-13C12; TeCB 81-13C12
IUPAC Name	1,2,3-trichloro-5-(4-chloro(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	70362-50-4 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl
InChI	InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H/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	BHWVLZJTVIYLIV-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Sparingly soluble in Chloroform; Slightly soluble in Methanol
Appearance	Off-white Solid
Storage	Store at -20°C