63041-90-7

Basic information

• Product Name: 6-NITROBENZ(A)PYRENE
• Synonyms: 4-Nitrobenzo[def]chrysene;6-nitro-benzo(a)pyren;6-NITROBENZ(A)PYRENE;6-NITROBENZO(A)PYRENE;53559, 6-Nitrobenzo[a]pyrene (purity);6-NITROBENZ[A]PYRENE (100UG/ML IN TOLUENE)
• CAS NO: 63041-90-7
• Molecular Formula: C₂₀H₁₁NO₂
• Molecular Weight: 297.31
• Product Categories: Alphabetic;Environmental CRM;N;NA - NIApplication CRMs;Nitro-PAH
• Mol File: 63041-90-7.mol
• Article Data: 5

Chemical Properties

• Melting Point: 255.5°C
• Boiling Point: 438.82°C (rough estimate)
• Flash Point: 259.5°C
• Appearance: /
• Density: 1.2310 (rough estimate)
• Vapor Pressure: 1.48E-10mmHg at 25°C
• Refractive Index: 1.5180 (estimate)
• Storage Temp.: 2-8°C
• BRN: 2472924
• CAS DataBase Reference: 6-NITROBENZ(A)PYRENE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-NITROBENZ(A)PYRENE(63041-90-7)
• EPA Substance Registry System: 6-NITROBENZ(A)PYRENE(63041-90-7)

Safety Data

• Hazardous Substances Data: 63041-90-7(Hazardous Substances Data)

Usage

General Description

6-NITROBENZ(A)PYRENE is a chemical compound consisting of a nitro group attached to the benz(a)pyrene molecule. It is a highly toxic and carcinogenic substance that is produced by the incomplete combustion of organic materials, such as tobacco smoke, coal, and car exhaust. Exposure to 6-NITROBENZ(A)PYRENE has been linked to an increased risk of lung cancer, as well as other respiratory and cardiovascular diseases. It is considered to be a priority pollutant by the Environmental Protection Agency (EPA) and is strictly regulated to minimize its impact on human health and the environment.

InChI:InChI=1/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H

Upstream product

• 17750-93-5 7,8,9,10-tetrahydrobenzo[a]pyrene 
• 50-32-8 benzopyrene 
• 88598-58-7 6-nitro-7,8,9,10-tetrahydrobenzopyrene 

Downstream Products

• 53555-67-2 benzopyren-6-yl acetate 
• 20928-82-9 6-oxy-benzopyrene radical 
• 10102-43-9 nitrogen(II) oxide 
• 118202-71-4 N-benzo[def]chrysen-6-yl-diacetamide 
• 3067-12-7 benzo[a]pyrene-6,12-dione 
• 33953-73-0 6-hydroxybenzopyrene 
• 3067-13-8 benzo[a]pyrene-1,6-quinone 
• 3067-14-9 benzo[a]pyrene-3,6-dione 
• 7428-83-3 6-aminobenzopyrene 

Relevant articles and documents

Atmospheric heterogeneous reactions of benzo(a)pyrene

This experimental study deals with heterogeneous reactions of benzo(a)pyrene (BaP) with ozone, nitrogen dioxide and hydroxyl radicals. BaP was adsorbed on silica particles chosen here as a model of mineral atmospheric particles. Compound extractions were assisted by focused microwave and analyses were performed by gas chromatography coupled with mass spectroscopy in single ion monitoring mode. Pseudo-first order rate constants were obtained from the fit of experimental decays of particulate-BaP concentration versus reaction time. Second order rate constants were determined considering the different oxidant gaseous concentrations except for the case of hydroxyl radicals where only a pseudo-first order rate constant was proposed. Values obtained at room temperature are (2.1±0.5)×10-15 cm3 molecule-1 s-1 for (BaP + ozone), (5.8±1.4) ×10-16 cm3 molecule-1 s-1 for (BaP + nitrogen dioxide) and (3.4±0.8)×10-2 s -1 for (BaP + OH) reactions. Products have only been investigated for the NO2 and the OH (in the presence of NOx) reactions. 1-, 3- and 6-nitrobenzo(a)pyrenes were detected as degradation products and quantified. Reaction rate constants for product formation are (3.7±0.9)×10-16 cm3 molecule-1 s-1 for 6-NBaP, (2.2±0.6)×10-17 cm 3 molecule-1 s-1 for 1-NBaP and (5.3±1.3)×10-17 cm3 molecule-1 s-1 for 3-NBaP. 1-, 3- and 6-nitroBaP account respectively for approximately 5%, 12% and 83% of total nitrated species. If in thepresence of only nitrogen dioxide, BaP was totally degraded within few minutes, only 20 to 25 % of the initial BaP led to nitrated compounds when reacting with OH (in the presence of NOx). by Oldenbourg Wissenschaftsverlag.

Synthesis, chemical properties and mutagenicity of 1,6- and 3,6-dinitrobenzo[a]pyrenes

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Separation and Characterization of Mononitro Derivatives of Benzopyrene, Benzopyrene and Benzoperylene

Mononitro derivatives of three polycyclic aromatic hydrocarbons with 5-6 condensed rings have been synthesized and purified to a purity of approximately 99.9 percent for measurements of mutagenic properties.Structural isomers were identified from 1H NMR, MS and UV spectra.