PCB 114

CAS Registry Number®

74472-37-0

CAS Name

PCB 114

Molecular Formula

C12H5Cl5

Molecular Mass

326.43

Cite this Page

PCB 114.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74472-37-0 (retrieved 2024-11-24) (CAS RN: 74472-37-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H

InChIKey

InChIKey=SXZSFWHOSHAKMN-UHFFFAOYSA-N

SMILES

ClC1=C(C=C(Cl)C(Cl)=C1Cl)C2=CC=C(Cl)C=C2

Canonical SMILES

ClC=1C=CC(=CC1)C2=CC(Cl)=C(Cl)C(Cl)=C2Cl

Other Names for this Substance

  • 1,1′-Biphenyl, 2,3,4,4′,5-pentachloro-
  • 2,3,4,4′,5-Pentachloro-1,1′-biphenyl
  • 2,3,4,4′,5-Pentachlorobiphenyl
  • 4′-Chloro-2,3,4,5-tetrachlorobiphenyl
  • PCB 114

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