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2,2',3,4,4',5'-Hexacb-[13C12]

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General Information
Catalog: BLP-008011
CAS: 208263-66-5
Molecular Formula: [13C]12H4Cl6
Molecular Weight: 372.79

Chemical Structure

Synonyms	2,2',3,4,4',5'-Hexacb-13C12; PCB-138-13C12; 2,4,5,2',3',4'-Hexachlorobiphenyl-13C12; 2,2',3,4,4',5'-Hexachloro-1,1'-biphenyl-13C12; 2,2',3,4,4',5'-Hexachlorobiphenyl-13C12
IUPAC Name	1,2,3-trichloro-4-(3,4,6-trichloro(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	35065-28-2 (unlabelled)
Canonical SMILES	C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl
InChI	InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H/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	RPUMZMSNLZHIGZ-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Chloroform, Dichloromethane
Appearance	White to Off-white Solid
Storage	Store at 2-8°C