p-Terphenyl-d14

Base Information

• Chemical Name: p-Terphenyl-d14
• CAS No.: 1718-51-0
• Molecular Formula: C18D14
• Molecular Weight: 244.198
• European Community (EC) Number: 625-035-4
• DSSTox Substance ID: DTXSID5050399
• Nikkaji Number: J1.221.742K
• Wikidata: Q81984675
• Mol file: 1718-51-0.mol

Synonyms:p-Terphenyl-d14;1718-51-0;p-Terphenyl D14;[2H14]Terphenyl;1,2,3,4,5-pentadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene;1,1':4',1''-Terphenyl-d14;1,1':4',1''-Terphenyl-2,2',2'',3,3',3'',4,4'',5,5',5'',6,6',6''-d14;p-Terphenyl D14 500 microg/mL in Dichloromethane;4-Terphenyl-d14;p-Terphenyl-d14 (7CI,8CI);DTXSID5050399;XJKSTNDFUHDPQJ-WZAAGXFHSA-N;BAA71851;HY-W013973S;p-Terphenyl-d14, analytical standard;98904-43-9;AS-82552;CS-0095799;p-Terphenyl D14 1000 microg/mL in Acetone;D99668;p-Terphenyl-d14, 98 atom % D, 98% (CP);J-010764

Chemical Property of p-Terphenyl-d14

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 3.04E-06mmHg at 25°C
• Melting Point: 212-213 °C(lit.)
• Boiling Point: 400 °C at 760 mmHg
• Flash Point: 188.1 °C
• PSA: 0.00000
• Density: 1.11 g/cm³
• LogP: 5.02060
• Storage Temp.: 0-6°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 244.197424890
• Heavy Atom Count: 18
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

p-Terphenyl-d14 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-50/53-67-40
• Safety Statements: 26-37/39-61-60-36/37-24/25-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Terphenyls
• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• Uses: May be used as an analytical standard

Technology Process of p-Terphenyl-d14

There total 2 articles about p-Terphenyl-d14 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: 98.0%

[1,1';4',1'']terphenyl (92-94-4,94363-13-0) → p-terphenyl-d14 (1718-51-0)

Guidance literature:

With [mesitylenium]B(C₆F₅)4; benzene-d6; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo302201a

Reference yield: 65.0%

1,4-dibromotetradeuterobenzene (4165-56-4) + 2,3,4,5,6-pentadeuteriumbenzeneboronic acid (215527-70-1) → p-terphenyl-d14 (1718-51-0)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; water; toluene; for 5h; Heating / reflux;

Reference yield:

potassium graphite + UI(NCtBuMes)3(DME) + p-terphenyl-d14 (1718-51-0) → K2[(μ-η6,η6-p-terphenyl-d14)[U(NCtBuMes)3]2]

Guidance literature:

In 1,2-dimethoxyethane; (drybox, Schlenk, Ar) KC8 in DME was frozen, the thawing slurry was added dropwise to a frozen soln. of U-complex and terphenyl-d14 in DME, the mixt. was stirred at ca. 25°C for 25 min; filtered, the solvent was removed, extd. with pentane, stored for 7 days;

DOI:10.1021/ic202163m

upstream raw materials:

1,4-dibromotetradeuterobenzene

2,3,4,5,6-pentadeuteriumbenzeneboronic acid

[1,1';4',1'']terphenyl

Refernces

• 1、 -. "NOVEL DEUTERATED ARYL AMINE COMPOUND, PREPARATION METHOD THEREOF, AND ORGANIC LIGHT EMITTING DIODE USING THE SAME". Page/Page column 8. . Retrieved 2008/06/13.