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107555-93-1

107555-93-1 structural image
Product Name: 1,2,3,7,8-PENTABROMODIBENZOFURAN
Formula: C12H3Br5O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 3145 3177 3180 3182 3188 3204 3204

COMPUTED DESCRIPTORS

Molecular Weight 562.7 g/mol
XLogP3 7.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 561.60598 g/mol
Monoisotopic Mass 557.61008 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)