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116889-70-4

116889-70-4 structural image
Product Name: 1,3,7,9-TETRACHLORODIBENZO-P-DIOXIN
Formula: C12H4Cl4O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2271 2271 2304 2304 2304 2304 2340 2341

COMPUTED DESCRIPTORS

Molecular Weight 322.0 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 321.893590 g/mol
Monoisotopic Mass 319.896540 g/mol
Topological Polar Surface Area 18.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 289
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

1,3,7,9-Tetrachlorodibenzo-p-dioxin is one of 75 chlorinated dibenzo-p-dioxin (CDD) congeners. CDDs are a class of manufactured chemicals that consist of dioxin skeletel structures with chlorine substituents. They are also persistent organic pollutants (POPs), thus their production is regulated in most areas. Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)