CAS 105600-23-5
:1,1′-Biphenyl-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′-13C12, 3,3′,4,4′-tetrachloro-
Description:
1,1′-Biphenyl-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′-13C12, 3,3′,4,4′-tetrachloro- is a chlorinated biphenyl compound characterized by the presence of multiple chlorine atoms and isotopically labeled carbon. This compound features a biphenyl structure, which consists of two phenyl rings connected by a single bond. The presence of twelve carbon-13 isotopes indicates that it is a labeled compound, often used in studies involving tracing or tracking in chemical reactions or environmental studies. The tetrachloro substitution suggests that four chlorine atoms are attached to the biphenyl structure, which can significantly influence its chemical properties, including increased hydrophobicity and potential toxicity. Such chlorinated biphenyls are often studied for their environmental persistence and bioaccumulation potential, as well as their role in various industrial applications. The compound's CAS number, 105600-23-5, allows for its identification in chemical databases, facilitating research and regulatory considerations related to its use and impact.
Formula:C12H6Cl4
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:InChIKey=UQMGJOKDKOLIDP-WCGVKTIYSA-N
SMILES:Cl[13C]=1[13CH]=[13C]([13CH]=[13CH][13C]1Cl)[13C]2=[13CH][13C](Cl)=[13C](Cl)[13CH]=[13CH]2
Synonyms:- 13C12-3,3′,4,4′-Tetrachlorobiphenyl
- 13C12-3,3′,4,4′-TeCB
- 13C12-PCB 77
- 1,1′-Biphenyl-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′-13C12, 3,3′,4,4′-tetrachloro-
- PCB 77-13C12
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