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

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General Information
Catalog: BLP-008092
CAS: 105600-23-5
Molecular Formula: [13C]12H6Cl4
Molecular Weight: 303.90

Chemical Structure

Synonyms	3,3',4,4'-Tetracb-13C12; 3,3',4,4'-Tetrachlorobiphenyl-13C12; 3,3',4,4'-Tetrachloro-1,1'-biphenyl-13C12; 3,4,3',4'-Tetrachlorobiphenyl-13C12; PCB 77-13C12; Polychlorinated biphenyl-77-13C12; TeCB 77-13C12
IUPAC Name	1,2-dichloro-4-(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	32598-13-3 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI	InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)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	UQMGJOKDKOLIDP-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Dichloromethane
Appearance	Pale Grey Solid
Storage	Store at -20°C