Methacrylonitrile-d5

Base Information

• Chemical Name: Methacrylonitrile-d5
• CAS No.: 32376-01-5
• Molecular Formula: C₄H₅N
• Molecular Weight: 72.0507
• European Community (EC) Number: 685-257-2
• DSSTox Substance ID: DTXSID90467688
• Mol file: 32376-01-5.mol

Synonyms:Methacrylonitrile-d5;32376-01-5;3,3-dideuterio-2-(trideuteriomethyl)prop-2-enenitrile;perdeuterio-methacrylonitrile;DTXSID90467688;Methacrylonitrile-d5, 97 atom % D, 97% (CP), contains monomethyl ether hydroquinone (as stabilizer)

Chemical Property of Methacrylonitrile-d5

Chemical Property:

• Melting Point: −35.8 °C(lit.)
• Refractive Index: n20/D 1.399(lit.)
• Boiling Point: 90-92 °C(lit.)
• Flash Point: 12 °C
• PSA: 23.79000
• Density: 0.86 g/mL at 25 °C(lit.)
• LogP: 1.08608
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 72.073582893
• Heavy Atom Count: 5
• Complexity: 83.1

Purity/Quality:

METHACRYLONITRILE-D5 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-43
• Safety Statements: 9-16-18-29-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methacrylonitrile-d5

There total 3 articles about Methacrylonitrile-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: 45.0%

2-hydroxy-2-[2H3]methyl-[2H3]propionitrile (40662-43-9) → (D5)methacrylonitrile (32376-01-5) + 2-chloro(2H6)-2-methylpropanenitrile

Guidance literature:

With pyridine; thionyl chloride; at 90 - 95 ℃; for 3h;

Reference yield: 20.0%

2-hydroxy-2-[2H3]methyl-[2H3]propionitrile (40662-43-9) → (D5)methacrylonitrile (32376-01-5)

Guidance literature:

With pyridine; thionyl chloride; at 20 ℃; for 3h;

DOI:10.1002/chem.200304586

Reference yield:

→ (D5)methacrylonitrile (32376-01-5)

Guidance literature:

Acetoncyanhydrin-d6;

DOI:10.1021/ja00732a020

upstream raw materials:

2-hydroxy-2-[²H₃]methyl-[²H₃]propionitrile