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67517-48-0

67517-48-0 structural image
Product Name: 1,2,3,4,8-PNCDF
Formula: C12H3Cl5O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2503 2541 2508 2508

COMPUTED DESCRIPTORS

Molecular Weight 340.4 g/mol
XLogP3 6.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 339.859703 g/mol
Monoisotopic Mass 337.862653 g/mol
Topological Polar Surface Area 13.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 328
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

Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952)