Methane-d3

Base Information

• Chemical Name: Methane-d3
• CAS No.: 676-80-2
• Molecular Formula: CHD3
• Molecular Weight: 19.0189
• European Community (EC) Number: 693-079-1
• DSSTox Substance ID: DTXSID80449539
• Nikkaji Number: J567.180I,J772.302D,J3.285.442G
• Wikidata: Q82269049
• Mol file: 676-80-2.mol

Synonyms:Methane-d3;trideuteriomethane;676-80-2;Methane-d3 (gas);(2H3)Methane;Methane (d-3);(2H3)Methyl radical;Methane-d3, 98 atom % D;DTXSID80449539;CS-C-00254

Chemical Property of Methane-d3

Chemical Property:

• Vapor Pressure: 205285.6mmHg at 25°C
• Melting Point: ?183 °C(lit.)
• Boiling Point: -164 °C at 760 mmHg
• Flash Point: -228.321 °C
• PSA: 0.00000
• Density: 0.55 (vs air)
• LogP: 0.63610
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 19.0501303654
• Heavy Atom Count: 1
• Complexity: 0

Purity/Quality:

99.00% ^*data from raw suppliers

Methane-d3 98 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+
• Hazard Codes: F+
• Statements: 12
• Safety Statements: 16-38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C
• Isomeric SMILES: [2H]C([2H])[2H]

Technology Process of Methane-d3

There total 82 articles about Methane-d3 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: 62.0%

methane (34557-54-5,27936-85-2) → methane-d2 (676-55-1) + methane-d3 (676-80-2) + methane (558-20-3)

Guidance literature:

With deuterium; nickel; at 473 ℃; for 0.333333h; under 90.007 Torr; Product distribution; other temp., other catalyst;

DOI:10.1246/cl.1983.565

Reference yield: 23.0%

{(CD3)3Ta(μ-OCMe2CH2PPh2)2PtMe2}n → methane (34557-54-5,27936-85-2) + Monodeuteromethan (676-49-3) + methane-d3 (676-80-2) + methane (558-20-3)

Guidance literature:

In not given; thermolysis; mass spectroscopy;

Reference yield: 14.0%

methane (34557-54-5,27936-85-2) → methane-d2 (676-55-1) + Monodeuteromethan (676-49-3) + methane-d3 (676-80-2) + methane (558-20-3)

Guidance literature:

With deuterium; silica gel; palladium; at 464.9 ℃; for 1.66667h; Product distribution; Rate constant; further catalysts: silica-supported palladium/silver alloy (percent Pd 0-75);

upstream raw materials:

dimethylacetylene

deuterated methyl radical

[⁽²⁾H₆]acetone

ethane

Downstream raw materials:

methane-d2

methane

Monodeuteromethan

Refernces

• 1、 Chattopadhyay, Arun,Tasaki, Shintaro,Bersohn, Richard,Kawasaki, Masahiro. "The inversion mechanism for the reaction H + CD4 --> CD3H + D". . p. 1033 - 1036. Retrieved 1991.
• 2、 Zabka, Jan,Roithova, Jana,Spanel, Patrik,Herman, Zdenek. "Dynamics of formation of products D2CN+, DCN +, and CD3+ in the reaction of N+ with CD4: A crossed-beam and theoretical study". . p. 1384 - 1391. Retrieved 2010.
• 3、 Sattler, Aaron,Paccagnini, Michele,Lanci, Michael P.,Miseo, Sabato,Kliewer, Chris E.. "Platinum catalyzed c-h activation and the effect of metal-support interactions". . p. 710 - 720. Retrieved 2020/01/02.
• 4、 -. "Photocatalytic halohydrocarbon dehalogenation conversion method". Paragraph 0101; 0102. . Retrieved 2019/04/02.