64133-80-8

Basic information

• Product Name: benzo[pqr]tetraphene-6,12-dione
• Synonyms: benzo[a]pyrene-6,12-dione; Benzo[def]chrysene-6,12-dione; Benzo[pqr]tetraphene-6,12-dione
• CAS NO: 64133-80-8
• Molecular Formula: C₂₀H₁₀O₂
• Molecular Weight: 282.2922
• Mol File: 64133-80-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 531.9°C at 760 mmHg
• Flash Point: 195.6°C
• Density: 1.42g/cm³
• Vapor Pressure: 2.16E-11mmHg at 25°C
• Refractive Index: 1.785
• CAS DataBase Reference: benzo[pqr]tetraphene-6,12-dione(CAS DataBase Reference)
• NIST Chemistry Reference: benzo[pqr]tetraphene-6,12-dione(64133-80-8)
• EPA Substance Registry System: benzo[pqr]tetraphene-6,12-dione(64133-80-8)

Safety Data

• Hazardous Substances Data: 64133-80-8(Hazardous Substances Data)

Upstream product

• 59417-86-6 6-fluorobenzopyrene 
• 21248-01-1 6-Chlorobenzo[a]pyrene 
• 21248-00-0 6-Bromobenzo[a]pyrene 
• 10581-12-1 tetramethyl ammonium acetate 
• 50-32-8 benzopyrene 
• 127-09-3 sodium acetate 
• 85-44-9 phthalic anhydride 
• 63041-90-7 6-nitrobenzo(a)pyrene 
• 91-20-3 naphthalene 
• 7664-39-3 hydrogen fluoride 
• 4743-57-1 phthalidyliden-acetic acid 

Downstream Products

• 74192-49-7 6,12-dimethoxybenzopyrene 

Relevant articles and documents

Photochemical generation of nitric oxide from 6-nitrobenzo[a]pyrene

Photolabile 6-nitrobenzo[a]pyrene (6-nitroBaP) released nitric oxide (NO) under visible-light irradiation. The generation of NO and the concomitant formation of the 6-oxyBaP radical were confirmed by ESR. BaP quinones were also detected as further oxidize

Radical cations of benzo[a]pyrene and 6-substituted derivatives: Reaction with nucleophiles and DNA

1. Oxidation of benzo[a]pyrene (BP) by I2 in the presence of AgClO4 in benzene generates the BP.+ ClO4- · AgI complex. This same method was used to produce radical cations from 6-FBP, 6-ClBP, 6-BrBP and 6-CH3BP. 2. Reaction of the BP,6-FBP,6-ClBP and 6-BrBP radical cation perchlorates with H2O produced BP 1,6-, 3,6- and 6,12- dione, whereas 6-CH3BP.+ClO4- · AgI yielded 6-CH2OHBP. 3. When BP.+ClO4- · AgI and 6-FBP.+ClO4- · AgI were reacted with NaOAc in H2O/CH3CN (9:1), 6-OAcBP was formed, in addition to the quinones. In the case of 6-CIBP.+ClO4- · AgI, a small amount of 1-OAc-6-ClBP and 3-OAc-6-ClBP was formed in, addition to the diones, whereas for 6-BrBP and 6-CH3BP the reaction products were BP diones and 6-CH2OHBP respectively. 4. These results confirm the localization of charge in the BP.+ at C-6, followed by C-1 and C-3. 5. The reaction of BP with NOBF4 in CH2Cl2 produced BP.+ BF4-, radical cation free of complexation with inorganic salts. 6. Reaction of BP.+BF4- with DNA produced the depurinating adducts BP-6-C8Gua, BP-6-C8dGua and BP-6-N7Gua.

Photooxygenation of polycyclic aromatic hydrocarbons by pyrimido[5,4-g]pteridine N-oxide

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