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52663-62-4

52663-62-4 structural image
Product Name: 2,2',3,3',4-PENTACHLOROBIPHENYL
Formula: C12H5Cl5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless to pale-yellow, viscous liquid or solid (below 50 degrees F) with a mild, hydrocarbon odor; [NIOSH]
Color/Form Light yellow, viscous liquid
Odor Mild hydrocarbon odor
Boiling Point Distillation range 365-390 °C
Melting Point 50 °F
Flash Point 222 °C
Solubility Solubility in water varies because Aroclors are variable mixtures.
Density 1.495 at 65 °C/4 °C; 1505 at 15.5 °C/4 °C
Vapor Pressure 0.000077 [mmHg]
LogP 6.30 (estimated)
Henry's Law Constant Henry's Law constant = 2.83X10-4 atm-cu m/mole at 25 °C (avg)
Stability/Shelf Life ... PCB's are chemically very inert and are stable to conditions of hydrolysis and oxidation in industrial use. ... /Polychlorinated biphenyls/
Decomposition When heated to decomposition they emit toxic fumes of chlorine. /Polychlorinated biphenyls/
Viscosity 1800-2500 Saybolt sec at 37.8 °C; 260-340 Saybolt sec at 37.8 °C; 44-48 Saybolt sec at 98.9 °C
Refractive Index Index of refraction: 1.639-1.641 at 20 °C/D
Relative Evaporation Rate Evaporation loss at 100 °C/6 hr = 0-0.2%
Kovats Retention Index 2177.8 2176.7 2188.7 2190 2182 2182 2182 2185
Other Experimental Properties With the exception of Aroclors 1221 and 1268, Aroclors do not crystallize upon heating or cooling, but at a specific temperature, defined as a "pour point" , change into a resinous state. The "pour point" for Aroclor 1254 is 10 °C. /From table/
Chemical Classes Other Classes -> Halogenated Polyaromatics

COMPUTED DESCRIPTORS

Molecular Weight 326.4 g/mol
XLogP3 6.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 325.880439 g/mol
Monoisotopic Mass 323.883389 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 259
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aroclor 1254 is a commercial mixture of PCBs with an average chlorine content of 54%. It is composed of mainly pentachlorobiphenyls (71.44%) and hexachlorobuphenyls (21.97%) and also includes mono-, bi-, tri, tetra-, hexa, and nonachlorinated homologs. Polychlorinated biphenyls (PCBs) are a group of 209 synthetic organic compounds with 1-10 chlorine atoms attached to biphenyl. PCBs were manufactured as commercial mixtures but banned in the 1970's because they were found to bioaccumulate in the environment and cause harmful health effects. However, PCBs do not break down readily and are still found in the environment. (L4)