Ethane-1,1,2,2-d4

Base Information

• Chemical Name: Ethane-1,1,2,2-d4
• CAS No.: 3681-29-6
• Molecular Formula: C2H2 D4
• Molecular Weight: 34.0379
• European Community (EC) Number: 693-158-0
• DSSTox Substance ID: DTXSID50570420
• Nikkaji Number: J1.962.576A
• Wikidata: Q82457847
• Mol file: 3681-29-6.mol

Synonyms:Ethane-1,1,2,2-d4;1,1,2,2-tetradeuterioethane;3681-29-6;(~2~H_4_)Ethane;DTXSID50570420;AKOS015913223;Ethane-1,1,2,2-d4, 99 atom % D

Chemical Property of Ethane-1,1,2,2-d4

Chemical Property:

• Vapor Pressure: 37.95 mm Hg ( 21.1 °C)
• Melting Point: −172 °C(lit.)
• Boiling Point: −88 °C(lit.)
• Flash Point: -135°C
• PSA: 0.00000
• LogP: 1.02620
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 34.0720571752
• Heavy Atom Count: 2
• Complexity: 0

Purity/Quality:

95% ^*data from raw suppliers

ETHANE-1,1,2,2-D4 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F+
• Statements: 12
• Safety Statements: 16-33-38

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Ethane-1,1,2,2-d4

There total 4 articles about Ethane-1,1,2,2-d4 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:

1,1,2,2-tetradeuterio-ethyl (2154-63-4) → 1,1,2,2-tetradeuterio-ethane (3681-29-6) + pentadeuterioethane (3681-30-9) + ethylene-d3 (2680-01-5) + Ethylene-d4 (683-73-8,25549-98-8)

Guidance literature:

at 25 ℃; under 51 Torr; Disproportionierung;

DOI:10.1139/v59-156

Reference yield:

ethene (74-85-1) → ethane-d (5505-49-7) + 1,2-dideuterio-ethane (5177-70-8) + 1,1,2,2-tetradeuterio-ethane (3681-29-6) + pentadeuterioethane (3681-30-9) + ethane-d6 (1632-99-1) + 1,1,2-trideuterio-ethane (7747-98-0)

Guidance literature:

With deuterium; platinum ⁽¹¹¹⁾ single crystal; In gaseous matrix; at 59.9 ℃; under 110 Torr; Kinetics; Mechanism; Product distribution; variation of temperature and partial pressures; ΔH(excit.); isotope effect; rate of ethylene deuterium exchange;

DOI:10.1021/ja00320a013

Reference yield:

ethane (74-84-0) → ethane-d (5505-49-7) + 1,1,2,2-tetradeuterio-ethane (3681-29-6) + pentadeuterioethane (3681-30-9) + ethane-d6 (1632-99-1) + 1,1,2-trideuterio-ethane (7747-98-0) + 1,1,1,2-tetradeuterio-ethane (7747-99-1)

Guidance literature:

With deuterium; platinum; at 351.9 ℃; for 0.166667h; under 550 Torr; Product distribution; catalytic H-D exchange;

DOI:10.1016/S1386-1425(97)00159-5

upstream raw materials:

1,1,2,2-tetradeuterio-ethyl

Ethylene-d4

ethene

ethane

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