Ethane-1,1,1-d3

Base Information

• Chemical Name: Ethane-1,1,1-d3
• CAS No.: 2031-95-0
• Molecular Formula: C2H3 D3
• Molecular Weight: 33.0458
• DSSTox Substance ID: DTXSID50174200
• Nikkaji Number: J779.248D
• Wikidata: Q83044264
• Mol file: 2031-95-0.mol

Synonyms:Ethane-1,1,1-d3;2031-95-0;1,1,1-trideuterioethane;CH3CD3;(1,1,1-2H3)Ethane;DTXSID50174200

Chemical Property of Ethane-1,1,1-d3

Chemical Property:

• Vapor Pressure: 28500mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.537g/cm³
• LogP: 1.02620
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 33.0657804292
• Heavy Atom Count: 2
• Complexity: 0

Purity/Quality:

98 atom % D ^*data from raw suppliers

Ethane-1,1,1-d3(gas) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethane-1,1,1-d3

There total 19 articles about Ethane-1,1,1-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: 8.0%

cis-{Pt(CD3)(MeCN)2} + cis-{PtMe4(MeCN)2} → cis-{PtMe2(MeNC)2} + cis-{PtMe2(2,6-Me2C6H3CN)2} + 1,1,1-trideuterio-ethane (2031-95-0)

Guidance literature:

In benzene; byproducts: C2H6, C2D6; thermolysis at 50-70°C; monitoring by UV-visible spectrophotometry and mass spectrometry; Kinetics;

Reference yield:

1,1,1-trichloroethane (71-55-6,74552-83-3) → dimethylacetylene (503-17-3) + 1-deuterio-acetaldehyde (4122-13-8) + 1,1,1-trideuterio-ethane (2031-95-0) + ethylene-1,1-d2 (6755-54-0) + d1-vinyl chloride (4984-12-7) + propene-2-d1 (1184-59-4) + C4H5(2)H (138815-21-1)

Guidance literature:

With chromium(II) perchlorate; water-d2; at 20 ℃; for 0.333333h;

DOI:10.1002/chem.201202918

Reference yield:

[(κ3-N,N'-dimethyl-2,11-diaza[3,3](2,6)pyridinophane)PdIV(CD3)(CH3)2]I (1396816-85-5) → ethane (74-84-0) + 1,1,1-trideuterio-ethane (2031-95-0)

Guidance literature:

With oxygen; In [D₃]acetonitrile; Darkness; Inert atmosphere; Schlenk technique;

DOI:10.1021/om300752w

upstream raw materials:

methane

methane

iodomethane-d3

[⁽²⁾H₆]acetone

Downstream raw materials:

methane

Monodeuteromethan

ethane