53555-67-2

Basic information

• Product Name: benzo[pqr]tetraphen-6-yl acetate
• Synonyms: benzo[a]pyren-6-ol, acetate; Benzo[pqr]tetraphen-6-yl acetate
• CAS NO: 53555-67-2
• Molecular Formula: C₂₂H₁₄O₂
• Molecular Weight: 310.3454
• Mol File: 53555-67-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 528.9°C at 760 mmHg
• Flash Point: 159.7°C
• Density: 1.327g/cm³
• Vapor Pressure: 2.85E-11mmHg at 25°C
• Refractive Index: 1.819
• CAS DataBase Reference: benzo[pqr]tetraphen-6-yl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: benzo[pqr]tetraphen-6-yl acetate(53555-67-2)
• EPA Substance Registry System: benzo[pqr]tetraphen-6-yl acetate(53555-67-2)

Safety Data

• Hazardous Substances Data: 53555-67-2(Hazardous Substances Data)

Usage

General Description

Benzo[pqr]tetraphen-6-yl acetate is a chemical compound that belongs to the family of tetraphenylbenzene derivatives. It is an acetate ester, which means it is formed from acetic acid and an alcohol, in this case, benzo[pqr]tetraphen-6-yl alcohol. benzo[pqr]tetraphen-6-yl acetate has potential applications in the field of organic synthesis and materials science. Its unique chemical structure and properties make it an interesting target for research and development in the synthesis of new materials with specific properties, such as optical, electronic, or mechanical characteristics. Additionally, its potential use in the pharmaceutical industry for the synthesis of new drugs or drug delivery systems makes it an important compound for further study.

Upstream product

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• 120749-82-8 3,4-dihydrophenaleno<1,9-bc>furan-4-ol 
• 120749-80-6 4-oxo-2,2a,3,4-tetrahydrophenaleno<1,9-bc>furan 
• 57984-09-5 phenaleno<1,9-bc>furan 
• 127-09-3 sodium acetate 
• 56288-58-5 6-Acetoxy-7,8-dihydrobenzopyren 

Downstream Products

• 57271-89-3 acetic acid-(1-nitro-benzo[def]chrysen-6-yl ester) 
• 52351-96-9 5-methoxybenzopyrene 
• 33953-73-0 6-hydroxybenzopyrene 

Relevant articles and documents

Chemical Oxidation of Nitrated Polycyclic Aromatic Hydrocarbons: Hydroxylation with Superoxide Anion Radical

Nitrated polycyclic aromatic hydrocarbon (nitroPAH) is a potent mutagen which is reductively and/or oxidatively metabolized. Biological oxidation of nitroPAH, such as hydroxylation and epoxidation, is known, but chemical oxidation has been reported in only a few papers. NitroPAH is barely oxidized by various chemical oxidants because of the electron deficient property of the aromatic ring with the nitro substituent. Nucleophilic reactivity of superoxide anion radical is known, and thus the oxidation of nitroPAH with the chemically generated superoxide anion radical was carried out in this study. When 1-nitropyrene was reacted with KO2/18-crown-6 in dimethylformamide, 5-, 6-, 8-, and 9-hydroxy-1-nitropyrenes and 1-hydroxypyrene were obtained in preparative yields. Three isomeric dinitropyrenes, 3-nitrofluoranthene, 6-nitrobenzopyrene, and 6-nitrochrysene, were oxidized to hydroxy derivatives, some of which correspond to the oxidative metabolite of nitroPAH. The oxidation of dinitropyrenes with trifluoroperacetic acid gave K-region oxidized products.

One-Electron Oxidation of Dibenzopyrenes by Manganic Acetate

The dibenzopyrenes (DBPs) are carcinogenic polycyclic aromatic hydrocarbons (PAH) found as environmental pollutants.DBP is the most potent carcinogenic PAH ever tested.To investigate the bioactivation of DBPs by one-electron oxidation, oxidation of DBP, DBP, DBP, DBP, and anthanthrene with Mn(OAc)3 was conducted and compared to that of benzopyrene (BP).All five DBPs produced monoacetoxy derivatives, and all of them except DBP also produced diacetoxy derivatives.Kinetic studies of the formation of monoacetoxy and diacetoxy derivatives of DBPs were carried out and the results were compared to those of the parent compound BP.DBP was similar to BP.DBP reacted inefficiently to form monoacetoxy and diacetoxy products.The other three DBPs resembled one another.These results provide preliminary essential information for studies of the bioactivation of the very potent carcinogen DBP to form DNA adducts.