m-Xylene-d10

Base Information

• Chemical Name: m-Xylene-d10
• CAS No.: 116601-58-2
• Molecular Formula: C8D10
• Molecular Weight: 116.088
• European Community (EC) Number: 686-056-2
• DSSTox Substance ID: DTXSID40480403
• Nikkaji Number: J594.977G
• Wikidata: Q82315140
• Mol file: 116601-58-2.mol

Synonyms:m-Xylene-d10;116601-58-2;m-Xylene D10;1,2,3,5-tetradeuterio-4,6-bis(trideuteriomethyl)benzene;1,3-Dimethylbenzene-d10;DTXSID40480403;m-Xylene-d10, 98 atom % D;D99326;Benzene-1,2,3,5-d4, 4,6-di(methyl-d3)-;A935670;J-003462;m-Xylene-d10 (6CI);4,6-Di(methyl-d3)benzene-1,2,3,5-d4;1,2,3,5-Tetradeuterio-4,6-bis(trideuteriomethyl)benzene;Perdeuterated 1,3-dimethylbenzene;Perdeuterated m-xylene

Chemical Property of m-Xylene-d10

Chemical Property:

• Vapor Pressure: 7.61mmHg at 25°C
• Melting Point: −48 °C(lit.)
• Refractive Index: n20/D 1.497(lit.)
• Boiling Point: 138-139 °C(lit.)
• Flash Point: 77 °F
• PSA: 0.00000
• Density: 0.95 g/mL at 25 °C(lit.)
• LogP: 2.30340
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 116.141017778
• Heavy Atom Count: 8
• Complexity: 58.4

Purity/Quality:

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

m-Xylene-D10 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38-38-20/21
• Safety Statements: 16-26-36-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])[2H])C([2H])([2H])[2H])[2H]

Technology Process of m-Xylene-d10

There total 2 articles about m-Xylene-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:

C18H6N4(1-)*C8(2)H10(1+) → m-[D10]xylene (116601-58-2) + 2,6,9,10-tetracyanoanthracene (80721-78-4)

Guidance literature:

In acetonitrile; at 25 ℃; Rate constant; isotope effects on the rate of electron transfer;

DOI:10.1021/ja00231a053

Reference yield:

m-xylene (108-38-3,104809-90-7) → m-[D10]xylene (116601-58-2)

Guidance literature:

With deuterated potassium amide; ammonia-d3;

Reference yield: 75.0%

m-[D10]xylene (116601-58-2) → 4-nitro-m-xylene-d9 (1020654-43-6)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 5h;

DOI:10.1055/s-2008-1032036

upstream raw materials:

m-xylene

Downstream raw materials:

4-nitro-m-xylene-d9

[D₆]isophthalaldehyde

Refernces