Home > Products > Screening Compounds P131691 > 2,2',3,4',6-Pentachlorobiphenyl

2,2',3,4',6-Pentachlorobiphenyl

Catalog Number: EVT-365434

CAS Number: 68194-05-8

Molecular Formula: C12H5Cl5

Molecular Weight: 326.4 g/mol

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Product Introduction

Description

2,2’,3,4’,6-Pentachlorobiphenyl, also known as PCB 88, is a type of polychlorinated biphenyl (PCB) congener . It has a molecular formula of C12H5Cl5 and a molecular weight of 326.433 .

Molecular Structure Analysis

The molecular structure of 2,2’,3,4’,6-Pentachlorobiphenyl consists of two phenyl rings with five chlorine atoms attached at the 2, 2’, 3, 4’, and 6 positions.

Physical And Chemical Properties Analysis

2,2’,3,4’,6-Pentachlorobiphenyl has an estimated melting point of 95.86°C and a boiling point of 412.3°C. It has a density of 1.5220 (rough estimate) and a refractive index of 1.6200 (rough estimate).

Properties

CAS Number

68194-05-8

Product Name

2,2',3,4',6-Pentachlorobiphenyl

IUPAC Name

1,2,4-trichloro-3-(2,4-dichlorophenyl)benzene

Molecular Formula

C12H5Cl5

Molecular Weight

326.4 g/mol

InChI

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

InChI Key

CXKIGWXPPVZSQK-UHFFFAOYSA-N

SMILES

C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2Cl)Cl)Cl

Solubility

6.77e-08 M

Synonyms

2,2',3,4',6-pentachlorobiphenyl
PCB-91
PCB91

Canonical SMILES

C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2Cl)Cl)Cl

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