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

Chemical Properties

Yellow to Orange Solid

Uses

Different sources of media describe the Uses of 1718-52-1 differently. You can refer to the following data:
1. This product may be used as an analytical standard.
2. Labelled Pyrene. Occurs in coal tar. Also obtained by the destructive hydrogenation of hard coal

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

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

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