Pyrene-d10

Base Information

• Chemical Name: Pyrene-d10
• CAS No.: 1718-52-1
• Molecular Formula: C16D10
• Molecular Weight: 212.176
• Hs Code.: 28459000
• European Community (EC) Number: 623-338-6
• DSSTox Substance ID: DTXSID90938045
• Nikkaji Number: J957.721A
• Wikidata: Q82914293
• Mol file: 1718-52-1.mol

Synonyms:Pyrene-d10;1718-52-1;Pyrene D10;1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene;Pyrene-1,2,3,4,5,6,7,8,9,10-d10;Pyrene D10 100 microg/mL in Acetone;Pyrene D10 500 microg/mL in Acetone;Pyrene D10 10 microg/mL in Cyclohexane;Pyrene D10 100 microg/mL in Acetonitrile;Perdeuteriopyrene;Pyrene-d10 (7CI,8CI,9CI);[10-2H]Pyrene;[2H10]Pyrene;(?H??)pyrene;(2H10)Pyrene;Pyrene-d10, 98 atom % D;Pyrene-d10, analytical standard;DTXSID90938045;BAA71852;C16D10;C16-D10;CS-T-60910;HY-150627S;CS-0534900;D98353;J-010765

Chemical Property of Pyrene-d10

Chemical Property:

• Appearance/Colour: Yellow to Orange Solid
• Vapor Pressure: 2.28E-06mmHg at 25°C
• Melting Point: 145-148 °C(lit.)
• Refractive Index: 1.851
• Boiling Point: 404 °C at 760 mmHg
• Flash Point: 168.8 °C
• PSA: 0.00000
• Density: 1.31 g/cm³
• LogP: 4.58400
• Storage Temp.: Refrigerator
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 212.141017778
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Pyrene-d10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
• Isomeric SMILES: [2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C(C(=C(C(=C43)C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• Uses: This product may be used as an analytical standard. Labelled Pyrene. Occurs in coal tar. Also obtained by the destructive hydrogenation of hard coal

Technology Process of Pyrene-d10

There total 2 articles about Pyrene-d10 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

pyrene (129-00-0) → pyrene-d10 (1718-52-1)

Guidance literature:

With [mesitylenium]B(C₆F₅)4; benzene-d6; In benzene-d6; at 70 ℃; for 72h; Inert atmosphere;

DOI:10.1021/jo302201a

Reference yield:

acetylene-d2 (1070-74-2) → pyrene-d10 (1718-52-1)

Guidance literature:

With hydrogen telluride; fired clay fragments; at 650 ℃;

DOI:10.1039/jr9390000429 DOI:10.1039/jr9350000851

Reference yield:

pyrene-d10 (1718-52-1) + C16H10K → pyrene (129-00-0) + C16(2)H10K

Guidance literature:

In tetrahydrofuran; at -98.1 ℃; Equilibrium constant; ΔEA;

DOI:10.1021/jo00300a027

upstream raw materials:

acetylene-d2

pyrene

Downstream raw materials:

pyrene

Refernces

• 1、 Munoz, Anna,Sanchez, Marta,Junk, Thomas,Virgili, Albert. "A New Case of Chiral Recognition between Isotopomers. Preparation and Study of (R) and (S) Perdeuterio 2,2,2-Trifluoro-1-(1-pyrenyl)ethanol". . p. 5069 - 5071. Retrieved 2000.
• 2、 -. "An organic compound and an organic light emitting diode". Paragraph 0152-0155. . Retrieved 2020/06/30.
• 3、 Duttwyler, Simon,Butterfield, Anna M.,Siegel, Jay S.. "Arenium acid catalyzed deuteration of aromatic hydrocarbons". . p. 2134 - 2138. Retrieved 2013/04/10.