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

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General Information
Catalog: BLP-008032
CAS: 208263-64-3
Molecular Formula: [13C]12H5Cl5
Molecular Weight: 338.33

Chemical Structure

Description	2',3,4,4',5-Pentacb-[13C12] is the labelled analogue of PCB 123, which is a flame retardant and a standard for environmental testing and research.
Synonyms	2',3,4,4',5-Pentacb-13C12; 2',3,4,4',5-Pentachlorobiphenyl-13C12; 2,3',4,4',5'-Pentachloro-1,1'-biphenyl-13C12; 2,3',4,4',5'-Pentachlorobiphenyl-13C12; 2',3,4,4',5-PeCB-13C12; 2',3,4,4',5-Pentachloro-1,1'-biphenyl-13C12; PCB 123-13C12
IUPAC Name	1,2,3-trichloro-5-(2,4-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	65510-44-3 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
InChI	InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/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	YAHNWSSFXMVPOU-WCGVKTIYSA-N
Purity	98%; 99% atom 13C
Solubility	Soluble in Nonane
Storage	Store at RT