117929-13-2

Basic information

• Product Name: 2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE
• Synonyms: 2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE
• CAS NO: 117929-13-2
• Molecular Formula: C16H12 N2 O4
• Molecular Weight: 296.30
• Mol File: 117929-13-2.mol

Chemical Properties

• Melting Point: >300 °C(Solv: hexane (110-54-3); benzene (71-43-2))
• Boiling Point: 437.88°C (rough estimate)
• Flash Point: 233.5°C
• Appearance: /
• Density: 1.2288 (rough estimate)
• Vapor Pressure: 8.48E-09mmHg at 25°C
• Refractive Index: 1.5800 (estimate)
• CAS DataBase Reference: 2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE(117929-13-2)
• EPA Substance Registry System: 2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE(117929-13-2)

Safety Data

• Hazardous Substances Data: 117929-13-2(Hazardous Substances Data)

Usage

Uses

Used in Environmental Analysis and Monitoring:
2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE is used as a reference material in research and laboratory studies for environmental analysis and monitoring. It helps in identifying and quantifying the presence of PAHs in various environmental samples.
Used in Industrial Discharge and Automobile Emissions:
2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE is found in industrial discharge, automobile emissions, and cigarette smoke, making it a known environmental pollutant. Its presence in these sources highlights the need for monitoring and controlling the release of PAHs into the environment.
Used in Aquatic Toxicity Studies:
2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE is used in aquatic toxicity studies to understand its impact on aquatic organisms. It has been found to be toxic to aquatic life, emphasizing the importance of minimizing its release into water bodies.
Used in Human Health and Safety Research:
2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE is considered a potential human carcinogen and mutagen. It is used in research to study its effects on human health and to develop measures to reduce exposure and mitigate its hazardous nature.

InChI:InChI=1/C16H12N2O4/c19-17(20)13-5-9-1-2-10-6-14(18(21)22)8-12-4-3-11(7-13)15(9)16(10)12/h5-8H,1-4H2

Upstream product

• 781-17-9 4,5,9,10-tetrahydropyrene 
• 118249-23-3 5-tert-butyl-13-nitro-8-methoxy<2.2>metacyclophane 

Relevant articles and documents

Synthesis and photophysical studies of donor-acceptor substituted tetrahydropyrenes

The tetrahydropyrene derivatives 2-N,N-dimethylamino-7-nitro-4,5,9,10- tetrahydropyrene (1) and 2-N,N-dimethylamino-7-acetyl-4,5,9,10-tetrahydropyrene (2) were synthesized and characterized. Photophysical properties of these molecules were investigated in several solvents. The absorption spectrum of 1 shows a slight red shift with solvent polarity, whereas that of 2 remains more or less unchanged. Fluorescence spectra of these compounds exhibit large, solvent-polarity-dependent Stokes shifts. The Stokes shifts are correlated to ET(30) and ETN parameters and were quantitatively analyzed by the Mataga-Liptay equation. Both compounds show low fluorescence quantum yields in cyclohexane. Nanosecond flash photolysis studies suggested that the low quantum yield in cyclohexane is due to intersystem crossing to a triplet state. In the case of 2, the fluorescence quantum yields are high in all other solvents. In the case of 1 fluorescence quantum yields are very low in polar solvents and this is explained by invoking a twisted intramolecular charge transfer state. The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2005.

Metacyclophanes and Related Compounds. 21. Nitration of Metacyclophanes

Various metacyclophanes were prepared from the corresponding benzene derivatives by using the tert-butyl group as a positional protective function and their nitrations were carried out under various conditions.It was found that nitration of 8,16-dime