Propionitrile-d5

Base Information

• Chemical Name: Propionitrile-d5
• CAS No.: 10419-75-7
• Molecular Formula: C3D5N
• Molecular Weight: 60.0397
• European Community (EC) Number: 693-269-4
• Nikkaji Number: J2.423.801F
• Mol file: 10419-75-7.mol

Synonyms:Propionitrile-d5;10419-75-7;Propanenitrile-d5;(?H?)propanenitrile;Propionitrile-d5, 99 atom % D;Propanenitrile-2,2,3,3,3-d5;D99178;J-001129

Chemical Property of Propionitrile-d5

Chemical Property:

• Vapor Pressure: 54.2mmHg at 25°C
• Melting Point: -93 °C(lit.)
• Refractive Index: 1.362
• Boiling Point: 91.3 °C at 760 mmHg
• Flash Point: 6.1 °C
• PSA: 23.79000
• Density: 0.841 g/cm³
• LogP: 0.91998
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 60.073582893
• Heavy Atom Count: 4
• Complexity: 38.5

Purity/Quality:

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

Propionitrile-d5 99 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F，T
• Hazard Codes: F,T+
• Statements: 11-26/27/28-36/37/38-36-27-25-20
• Safety Statements: 16-26-36/37/39-45-36/37-28-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC#N
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C#N
• Uses: Propionitrile-d5 (CAS# 10419-75-7) is a useful isotopically labeled research compound.

Technology Process of Propionitrile-d5

There total 1 articles about Propionitrile-d5 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: 42.0%

bromoethane-d5 (3675-63-6) + tetraethylammoniumcyanide (13435-20-6) → pentadeuterio-propionitrile (10419-75-7)

Guidance literature:

Reference yield:

pentadeuterio-propionitrile (10419-75-7) → propiononitrile (107-12-0)

Guidance literature:

With 2; tetrabutylammonium trifluoromethylsulfonate; In dichloromethane; nitromethane-d3; at 28.4 ℃; Kinetics; Thermodynamic data; ΔH(excit.); ΔS(excit.); different complexes and temperatures;

upstream raw materials:

bromoethane-d5

tetraethylammoniumcyanide

Downstream raw materials:

propiononitrile

Refernces