Ethylbenzene-d10

Base Information

• Chemical Name: Ethylbenzene-d10
• CAS No.: 25837-05-2
• Molecular Formula: C8D10
• Molecular Weight: 116.088
• Hs Code.: 28459000
• European Community (EC) Number: 247-292-8
• DSSTox Substance ID: DTXSID201014856
• Nikkaji Number: J306.710F
• Mol file: 25837-05-2.mol

Synonyms:Ethylbenzene-d10;25837-05-2;(2H10)Ethylbenzene;Benzene-d5, ethyl-d5-;1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene;EINECS 247-292-8;Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-;C8D10;DTXSID201014856;Ethylbenzene-d10, 99 atom % D;MFCD00044343;AKOS015913556;D98372;Ethylbenzene D10 2000 microg/mL in Methanol;J-016146;6-(Ethyl-1,1,2,2,2-d5)benzene-1,2,3,4,5-d5;BENZENE-1,2,3,4,5-D5,6-(ETHYL-1,1,2,2,2-D5)-

Chemical Property of Ethylbenzene-d10

Chemical Property:

• Vapor Pressure: 9.21mmHg at 25°C
• Melting Point: -95 °C(lit.)
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 136.2 °C at 760 mmHg
• Flash Point: 25.9 °C
• PSA: 0.00000
• Density: 0.95 g/cm³
• LogP: 2.24900
• Storage Temp.: 2-8°C
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 116.141017778
• Heavy Atom Count: 8
• Complexity: 51.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethylbenzene-d10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,T
• Hazard Codes: F,Xn,T
• Statements: 11-20-39/23/24/25-23/24/25-2017/11/20
• Safety Statements: 16-24/25-29-45-36/37-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=CC=C1
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]
• Uses: Ethylbenzene-d10 is a useful compound for selective benzylic C-H monooxygenation mediated by iodine oxides.

Technology Process of Ethylbenzene-d10

There total 2 articles about Ethylbenzene-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: 80.0%

benzothiophene-d6 → ethylbenzene-d10 (25837-05-2,84272-90-2)

Guidance literature:

With deuterium; Nalco-477; In pentane; at 350 ℃; for 3h;

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → ethylbenzene-d10 (25837-05-2,84272-90-2)

Guidance literature:

With deuterium; magnesium oxide; Heating;

DOI:10.1021/ja00268a076

Reference yield: 81.0%

ethylbenzene (100-41-4,27536-89-6) + ethylbenzene-d10 (25837-05-2,84272-90-2) + diethylazodicarboxylate (1972-28-7,218603-74-8) → C14H11(2)H9N2O4 (1407999-68-1) + diethyl 1-(1-phenylethyl)-1,2-hydrazinedicarboxylate (94203-19-7)

Guidance literature:

With N-hydroxyphthalimide; In 1,2-dichloro-ethane; at 80 ℃; for 19h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/jo301840e

upstream raw materials:

ethylbenzene

Downstream raw materials:

Heptadeutero-benzyl-Radikal

styrene-d8

1,2,2,2-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanol

N-(1-phenylethyl)-1-aminoadamantane

Refernces

• 1、 Hoq, M. Fazlul,Klabunde, Kenneth J.. "Thermally Activated Magnesium Oxide as a Selective Deuteration Catalyst under Mild Conditions". . p. 2114 - 2116. Retrieved 2007/10/02.