1,6-dinitropyrene

Description

1,6-dinitropyrene · CAS 42397-64-8 · C16H8N2O4. UNII 66Q2ZUF83N. Melting Point: 300 °C.

Identification

CAS Registry Number	42397-64-8
PubChem CID	39184
Molecular formula	C16H8N2O4
IUPAC name	1,6-dinitropyrene
UNII (FDA)	66Q2ZUF83N

Computed Descriptors

Molecular Weight	292.24
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	292.04840674
Monoisotopic Mass	292.04840674
Topological Polar Surface Area	91.6
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	300 °C

Physical description & handling notes

• Solid; [MSDSonline]
• Light-brown needles, recrystallized from benzene and methanol
• Moderately soluble in toluene
• When heated to decomposition it emits toxic fumes of /nitrogen oxide/.

GHS Hazard Classification

Reported hazard statements	H350 (100%), H341, H351

Documented Uses

• No commercial applications; Found in particulates in emissions from combustion, e.g., diesel exhausts; [NTP] Found in some carbon blacks and in emissions from diesel engines, kerosene heaters, and gas burners; [IARC]
• No evidence was found that 1,6-dinitropyrene has been used for other than laboratory applications.
• Mixtures of 1,3-, 1,6- and 1,8-dinitropyrenes are produced by the nitration of pyrene, and 1,6-dinitropyrene has been isolated and purified from such preparations.
• Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
• Under argon atmosphere, rat and dog liver cytosol catalyzed the reduction of 1,6-dinitropyrene to 1-amino-6-nitropyrene and 1,6-diaminopyrene ... 1-acetylamino-6-nitropyrene was also detected as a metabolite ...
• 1-Nitro-6-nitrosopyrene, 1-amino-6-nitropyrene and 1,6-diaminopyrene were detected as metabolites in rat mammary gland cytosol incubated with 1,6-dinitropyrene under anaerobic conditions.

Synonyms

1,6-DINITROPYRENE; 42397-64-8; Pyrene, 1,6-dinitro-; 66Q2ZUF83N; DTXSID90872819; RefChem:73608; DTXCID10820392; 636-984-9; Pyrene, 1,6-dinitro-; 1,6-Dinitropyrene; CCRIS 2212; 1,6-Dinitropyrene [Nitroarenes]; BRN 3413178; UNII-66Q2ZUF83N; HSDB 7874; 1,6-Dinitro-pyrene; 1,6-Dinitropyrene, 98%

Frequently Asked Questions

What are the CAS number and molecular formula of 1,6-dinitropyrene?

CAS 42397-64-8; molecular formula C16H8N2O4; molecular weight — g/mol.

What other names is 1,6-dinitropyrene known by?

1,6-DINITROPYRENE, 42397-64-8, Pyrene, 1,6-dinitro-, 66Q2ZUF83N, DTXSID90872819, RefChem:73608.

Is 1,6-dinitropyrene classified as hazardous?

Hazard statements reported: H350, H341, H351.

What are the key physical properties of 1,6-dinitropyrene?

Melting Point: 300 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.