1718-52-1

Basic information

• Product Name: PYRENE-D10
• Synonyms: Prene-d10;Pyrene-d10;PYRENE (D10, 98%);BENZO[D,E,F]PHENANTHRENE D10;PYRENE-D10;PYRENE-D10, 98 ATOM % D;Pyrazine-D10;[10-2H]Pyrene
• CAS NO: 1718-52-1
• Molecular Formula: C₁₆H₁₀
• Molecular Weight: 212.31
• Product Categories: Volatiles/ Semivolatiles;Isotope Labelled Compounds;Aromatics;Isotope Labeled Compounds;Alphabetical Listings;Stable Isotopes;Alpha Sort;P;P-SAlphabetic;PU - PZ
• Mol File: 1718-52-1.mol
• Article Data: 8

Chemical Properties

• Melting Point: 145-148 °C(lit.)
• Boiling Point: 404 °C at 760 mmHg
• Flash Point: 168.8 °C
• Appearance: Yellow to Orange Solid
• Density: 1.31 g/cm³
• Vapor Pressure: 2.28E-06mmHg at 25°C
• Refractive Index: 1.851
• Storage Temp.: Refrigerator
• CAS DataBase Reference: PYRENE-D10(CAS DataBase Reference)
• NIST Chemistry Reference: PYRENE-D10(1718-52-1)
• EPA Substance Registry System: PYRENE-D10(1718-52-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 1718-52-1(Hazardous Substances Data)

Usage

Description

PYRENE-D10, also known as Labelled Pyrene, is a synthetically produced compound derived from coal tar and can also be obtained through the destructive hydrogenation of hard coal. It is a yellow to orange solid with unique chemical properties that make it suitable for various applications.

Uses

Used in Analytical Chemistry:
PYRENE-D10 is used as an analytical standard in the field of analytical chemistry. Its distinct chemical properties allow it to serve as a reliable reference for the identification and quantification of other compounds in various samples.
Used in Environmental Science:
In environmental science, PYRENE-D10 is utilized for studying the behavior and fate of pollutants in the environment. Its presence in coal tar makes it a relevant compound for understanding the impact of coal-related activities on the environment.
Used in Chemical Research:
PYRENE-D10 is employed as a research compound in chemical laboratories. Its unique properties and synthetic nature make it an ideal candidate for exploring new chemical reactions and developing novel applications in the field of chemistry.
Used in Pharmaceutical Industry:
The pharmaceutical industry may use PYRENE-D10 as a starting material or intermediate in the synthesis of various drugs and pharmaceutical compounds. Its unique chemical structure can be manipulated to create new molecules with potential therapeutic applications.
Used in Material Science:
In material science, PYRENE-D10 can be used to develop new materials with specific properties. Its solid-state characteristics and synthetic origin make it a valuable component in the creation of advanced materials for various applications, such as electronics, coatings, and adhesives.

InChI:InChI=1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D

Upstream product

• 129-00-0 pyrene 
• 1070-74-2 acetylene-d2 

Downstream Products

• 129-00-0 pyrene 

Relevant articles and documents

Relative Solution Electron Affinities of Selectively Deuteriated Pyrenes: Correlations between Voltammetric, Electron Paramagnetic Resonance, and Semiempirical PM3 Data

The equilibrium isotope effects (EIE) for the one-electron transfer between pyrene and seven regioselectively deuteriated pyrene isotopic isomers in dimethylformamide with 0.1 M tetrabutylammonium hexafluorophosphate were measured electrochemically.These data correlate linearly with the free energies (ΔGo) obtained in tetrahydrofuran using electron paramagnetic resonance (EPR) techniques.However, the slope of the resulting line is not unity, and it indicates that the EIE in the DMF system is only two-thirds of that in the THF system.PM3 calculated ΔGo's, which would correspond to the gas phase electron transfers, also correlate linearly with both sets of experimental data, but the predicted magnitudes of the EIE's are smaller than those observed experimentally by either technique.The nonunity slopes probably reflect slight differences in ion solvation and/or ion association parameters between the anion radicals of the isotopic isomers.No general relationship between the EIE and the charge on the hydrogen/deuterium substituted carbon atom was found.

Rapid, microwave-assisted perdeuteration of polycyclic aromatic hydrocarbons

A simple and convenient method for the perdeuteration of polycyclic aromatic hydrocarbons that does not require strong acid has been developed. Using commercially available reagents, the one-step procedure provides a new route to perdeuterated derivatives of both common and exotic polycyclic aromatic hydrocarbons. Microwave irradiation of the hydrocarbons in a solution of dimethylformamide-d7 containing potassium tert-butoxide affords rapid and essentially complete H/D exchange. For example, corannulene is converted to corannulene-d10 with >98% deuterium incorporation in just 1 h of microwave irradiation in a solution of t-BuOK/DMF-d7.

METHOD FOR PREPARING DEUTERATED ORGARNIC COMPOUNDS AND DEUTERATED ORGARNIC COMPOUNDS PRODUCED BY THE SAME

The present invention relates to a manufacturing method of a deuterated organic compound and a deuterated organic compound manufactured thereby. According to the manufacturing method of a deuterated organic compound, it is possible to provide a deuterated organic compound having an excellent deuterium conversion ratio. In addition, by using an aliphatic hydrocarbon solvent having 7 or more carbon atoms, it is possible to increase solubility of an organic compound, thereby increasing the deuterium conversion ratio.COPYRIGHT KIPO 2019