4-Chloro-2-phenyl-2H-1,2,3-triazole

Base Information

• Chemical Name: 4-Chloro-2-phenyl-2H-1,2,3-triazole
• CAS No.: 77896-52-7
• Molecular Formula: C8H6ClN3
• Molecular Weight: 179.609
• DSSTox Substance ID: DTXSID10506886
• Wikidata: Q82362848
• Mol file: 77896-52-7.mol

Synonyms:77896-52-7;4-Chloro-2-phenyl-2H-1,2,3-triazole;SCHEMBL1037429;DTXSID10506886

Chemical Property of 4-Chloro-2-phenyl-2H-1,2,3-triazole

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.0250249
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2N=CC(=N2)Cl

Technology Process of 4-Chloro-2-phenyl-2H-1,2,3-triazole

There total 9 articles about 4-Chloro-2-phenyl-2H-1,2,3-triazole 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: 97.0%

2-phenyl-2H-1,2,3-triazole 1-oxide (77896-39-0) → 4-chloro-2-phenyl-1,2,3-triazole (77896-52-7)

Guidance literature:

With trifluoracetyl chloride; In chloroform; at 150 ℃; for 1h;

Reference yield: 95.0%

5-chloro-2-phenyl-1,2,3-triazole 1-oxide (77896-42-5) → 4-chloro-2-phenyl-1,2,3-triazole (77896-52-7)

Guidance literature:

With phosphorus trichloride; for 1h; Heating;

DOI:10.1039/P19810000503

Reference yield: 62.0%

1-methoxy-2-phenyl-1,2,3-triazolium tetrafluoroborate → 2-phenyl-2H-1,2,3-triazole 1-oxide (77896-39-0) + 4-chloro-2-phenyl-1,2,3-triazole (77896-52-7)

Guidance literature:

With magnesium chloride; In acetonitrile; for 72h;

DOI:10.1039/P19810000503

upstream raw materials:

2-phenyl-2H-1,2,3-triazole 1-oxide

5-chloro-2-phenyl-1,2,3-triazole 1-oxide

potassium cyanide

2-phenylhydrazonoglyoxal 1-oxime