1,1′-Biphenyl-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′-13C12, 3,3′,4,4′-tetrachloro-

CAS Registry Number®

105600-23-5
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CAS Name

1,1′-Biphenyl-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′-13C12, 3,3′,4,4′-tetrachloro-

Molecular Formula

C12H6Cl4

Cite this Page

1,1′-Biphenyl-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′-13C12, 3,3′,4,4′-tetrachloro-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105600-23-5 (retrieved 2024-08-25) (CAS RN: 105600-23-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-177 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

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

InChIKey

InChIKey=UQMGJOKDKOLIDP-WCGVKTIYSA-N

SMILES

Cl[13C]=1[13CH]=[13C]([13CH]=[13CH][13C]1Cl)[13C]2=[13CH][13C](Cl)=[13C](Cl)[13CH]=[13CH]2

Canonical SMILES

ClC=1C=CC(=CC1Cl)C2=CC=C(Cl)C(Cl)=C2

Other Names for this Substance

  • 1,1′-Biphenyl-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′-13C12, 3,3′,4,4′-tetrachloro-
  • PCB 77-13C12
  • 13C12-3,3′,4,4′-Tetrachlorobiphenyl
  • 13C12-PCB 77
  • 13C12-3,3′,4,4′-TeCB