116-90-5

Basic information

• Product Name: [4,4'-bi-7H-benz[de]anthracene]-7,7'-dione
• Synonyms: [4,4'-bi-7H-benz[de]anthracene]-7,7'-dione;4,4''-DIBENZANTHRONYL;4,4'-Bi(7H-benz[de]anthracen-7-one);Benzanthronyl;Dibenzonyl
• CAS NO: 116-90-5
• Molecular Formula: C₃₄H₁₈O₂
• Molecular Weight: 458.50552
• EINECS: 204-164-6
• Mol File: 116-90-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 524°C (rough estimate)
• Flash Point: 252.5°C
• Appearance: /
• Density: 1.0924 (rough estimate)
• Refractive Index: 1.4875 (estimate)
• CAS DataBase Reference: [4,4'-bi-7H-benz[de]anthracene]-7,7'-dione(CAS DataBase Reference)
• NIST Chemistry Reference: [4,4'-bi-7H-benz[de]anthracene]-7,7'-dione(116-90-5)
• EPA Substance Registry System: [4,4'-bi-7H-benz[de]anthracene]-7,7'-dione(116-90-5)

Safety Data

• Hazardous Substances Data: 116-90-5(Hazardous Substances Data)

Usage

General Description

"[4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione" is a chemical compound also known as benz[a]anthracene-7,12-dione. It is a polycyclic aromatic hydrocarbon (PAH) that is often found in the environment as a result of burning organic material. [4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione is known to be a potent skin sensitizer and it has been classified as a potential human carcinogen by the International Agency for Research on Cancer (IARC). Exposure to this compound has been linked to an increased risk of developing various types of cancers, particularly skin cancer. Furthermore, it is also considered to be a hazardous air pollutant and is subject to regulation in various industrial and environmental settings to reduce human exposure.

Upstream product

• 82-05-3 7H-benz[d,e]anthracene-7-one 
• 64-17-5 ethanol 
• 100-61-8 N-methylaniline 
• 67-63-0 isopropyl alcohol 
• 71-43-2 benzene 
• 95-50-1 1,2-dichloro-benzene 
• 108-90-7 chlorobenzene 
• 1865-45-8 sodium anilide 
• 62-53-3 aniline 
• 82-04-2 2-Chlorobenzanthrone 

Downstream Products

• 116-71-2 isoviolanthrone 
• 128-64-3 isoviolanthrone 
• 64346-54-9 violanthrone-16,17-quinone 
• 128-59-6 16,17-dihydroxyviolanthrene-5,10-dione 

Relevant articles and documents

ELECTRONIC STRUCTURE OF ? SYSTEMS. XI. RADICAL ANIONS OF BENZANTHRONE AND ITS DERIVATIVES AND THEIR ROLE IN CONDENSATION REACTIONS IN THE PRESENCE OF STRONG BASES

It is shown, with the help of ESR spectroscopy, that benzanthrone, its 3-bromo- and 3-nitro derivatives, 1-benzoylnaphthalene, 1,5-dibenzoylnaphthalene, and dibenzo-pyrene-7,14-quinone, form radical anions when treated with alcoholic alkali solutions.Benzanthrone and its derivatives and analogs react in the presence of strong bases exactly according to the distribution of unpaired electrons on their LUMOs: at C atoms of the hydrocarbon fragment in cyclic compounds and at C atoms of carbonyl groups in acyclic compounds.Radical anions of benzanthrone dimerize at the position of maximal spin density with the formation of 4,4'-bibenzanthronyl.Radical anions of 3-bromobenzanthrone and 3-nitrobenzanthrone are also dimerized at the position of maximal spin density, i.e., at position 3, with the elimination of the substituent and the formation of isoviolanthrone and ethoxyviolanthrone B, respectively, as final products.The products resulting from the transformation in alcoholic alkali of the acyclic analogs of benzanthrone, i.e., 1-benzoylnaphthalene and 1,5-benzoylnaphthalene, are the respective hydroxy derivatives.