1,3-Dimethylbenzotriazolium iodide

Base Information

• Chemical Name: 1,3-Dimethylbenzotriazolium iodide
• CAS No.: 22713-35-5
• Molecular Formula: C₈H₁₀N₃*I
• Molecular Weight: 275.092
• DSSTox Substance ID: DTXSID50945391
• Mol file: 22713-35-5.mol

Synonyms:22713-35-5;1,3-Dimethylbenzotriazolium iodide;1,3-Dimethyl-1H-1,2,3-benzotriazol-3-ium iodide;1,3-dimethylbenzotriazol-3-ium;iodide;1,3-Dimethyl-3H-benzotriazolium iodide;1,3-Dimethylbenzotriazolium jodid [German];1,3-Dimethylbenzotriazolium jodid;1,3-Dimethyl-1H-benzotriazolium iodide;3H-BENZOTRIAZOLIUM, 1,3-DIMETHYL-, IODIDE;1,3-Dimethyl-1H-benzo[d][1,2,3]triazol-3-ium iodide;1H-Benzotriazolium, 1,3-dimethyl-, iodide (8CI,9CI);starbld0036966;DTXSID50945391;AT35357;LS-41567;1,3-Dimethyl-1H-benzotriazol-3-ium iodide;1H-Benzotriazolium, 1,3-dimethyl-, iodide;1,3-Dimethyl-1H-benzotriazolium iodide (6CI)

Chemical Property of 1,3-Dimethylbenzotriazolium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 274.99194
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2[N+](=N1)C.[I-]

Technology Process of 1,3-Dimethylbenzotriazolium iodide

There total 8 articles about 1,3-Dimethylbenzotriazolium iodide 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: 90.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + methyl iodide (74-88-4) → 1,3-dimethylbenzotriazolium iodide (22713-35-5)

Guidance literature:

1,2,3-Benzotriazole; methyl iodide; With potassium hydroxide; In ethanol; for 1h; Reflux;

methyl iodide; In ethanol; for 1h; Reflux;

Reference yield: 70.0%

1-methyl-1H-benzo[d][1,2,3]triazole (13351-73-0) + methyl iodide (74-88-4) → 1,3-dimethylbenzotriazolium iodide (22713-35-5)

Guidance literature:

In acetonitrile; for 48h; Heating;

DOI:10.1081/SCC-120004260

Reference yield: 65.0%

1-((phenylthio)methyl)-1H-benzo[d][1,2,3]triazole (111198-03-9) + methyl iodide (74-88-4) → 1,3-dimethylbenzotriazolium iodide (22713-35-5) + 3-methyl-1-(phenylthiomethy)benzotriazolium iodide (111198-22-2)

Guidance literature:

In toluene; at 80 ℃; for 16h;

upstream raw materials:

2-methylbenzotriazole

methyl iodide

1-methyl-1H-benzo[d][1,2,3]triazole

1,2-dimethyl-benzotriazolium; iodide