Propane-2,2-d2

Base Information

• Chemical Name: Propane-2,2-d2
• CAS No.: 2875-95-8
• Molecular Formula: C3H6 D2
• Molecular Weight: 46.0806
• European Community (EC) Number: 693-141-8
• DSSTox Substance ID: DTXSID60426000
• Nikkaji Number: J770.580H
• Wikidata: Q82238962
• Mol file: 2875-95-8.mol

Synonyms:Propane-2,2-d2;2,2-dideuteriopropane;2875-95-8;2,2-dideuterio-propane;(2,2-2H2)Propane;CH3CD2CH3;DTXSID60426000;Propane-2,2-d2, 98 atom % D

Chemical Property of Propane-2,2-d2

Chemical Property:

• Vapor Pressure: 8.42 atm ( 21.1 °C)
• Melting Point: −188 °C(lit.)
• Boiling Point: −42.1 °C(lit.)
• Flash Point: -104℃
• PSA: 0.00000
• Density: 1.5 (vs air)
• LogP: 1.41630
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 46.0751537471
• Heavy Atom Count: 3
• Complexity: 0

Purity/Quality:

Propane-2,2-d2 98 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,F+
• Statements: 11-12
• Safety Statements: 16-33-36-38

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propane-2,2-d2

There total 6 articles about Propane-2,2-d2 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:

→ propane-d2 (2875-95-8)

Guidance literature:

With lithium deuteride; In tetrahydrofuran; at 80 ℃; for 3h;

DOI:10.1039/b407976k

Reference yield:

→ propane-d2 (2875-95-8)

Guidance literature:

With water-d2;

DOI:10.1111/j.1479-828X.2001.tb01208.x

Reference yield:

2,2-dichloropropane (594-20-7) + deuteroacetic acid (758-12-3) → propane-d2 (2875-95-8)

Guidance literature:

With zinc;

DOI:10.1039/df9511000046

upstream raw materials:

2,2-dichloropropane

deuteroacetic acid

2,2-dibromopropane

1-iodopropane-2,2-d₂

Downstream raw materials:

methane

Monodeuteromethan

ethene

ethylene-d1