1,3-bis(cyanomethyl)-1H-imidazol-3-ium chloride

Base Information

• Chemical Name: 1,3-bis(cyanomethyl)-1H-imidazol-3-ium chloride
• CAS No.: 934047-83-3
• Molecular Formula: C₇H₇N₄*Cl
• Molecular Weight: 182.612
• European Community (EC) Number: 693-434-0
• DSSTox Substance ID: DTXSID80583644
• Mol file: 934047-83-3.mol

Synonyms:934047-83-3;1,3-bis(cyanomethyl)-1H-imidazol-3-ium chloride;1,3-Bis(cyanomethyl)imidazolium chloride;2-[3-(cyanomethyl)imidazol-3-ium-1-yl]acetonitrile;chloride;SCHEMBL15270754;DTXSID80583644;1,3-Bis(cyanomethyl)imidazolium chloride, purum, >=98.5% (HPLC/T)

Chemical Property of 1,3-bis(cyanomethyl)-1H-imidazol-3-ium chloride

Chemical Property:

• PSA: 56.39000
• LogP: -3.17324
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 182.0359239
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

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

1,3-Bis(cyanomethyl)imidazolium chloride purum, ≥98.5% (HPLC/T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C[N+](=CN1CC#N)CC#N.[Cl-]

Technology Process of 1,3-bis(cyanomethyl)-1H-imidazol-3-ium chloride

There total 1 articles about 1,3-bis(cyanomethyl)-1H-imidazol-3-ium chloride 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: 75.0%

chloroacetonitrile (107-14-2) + 1-(Trimethylsilyl)imidazole (18156-74-6) → 1-ethyl-3-methylimidazolium chlorine (934047-83-3)

Guidance literature:

at 59.84 ℃; for 24h;

DOI:10.1002/ejic.202100143

upstream raw materials:

chloroacetonitrile

1-(Trimethylsilyl)imidazole

Refernces