4-bromo-1,5-dimethyl-1H-1,2,3-triazole

Base Information

• Chemical Name: 4-bromo-1,5-dimethyl-1H-1,2,3-triazole
• CAS No.: 885877-41-8
• Molecular Formula: C₄H₆BrN₃
• Molecular Weight: 176.016
• Hs Code.: 2933990090
• European Community (EC) Number: 817-351-8
• DSSTox Substance ID: DTXSID60363522
• Wikidata: Q82147251
• Mol file: 885877-41-8.mol

Synonyms:4-bromo-1,5-dimethyl-1H-1,2,3-triazole;885877-41-8;4-bromo-1,5-dimethyltriazole;SCHEMBL1412608;DTXSID60363522;MFCD06242922;AKOS005224011;MB03747;AS-50168;4-Bromo-1,5-dimethyl-2H-1,2,3-triazole;CS-0079600;FT-0728066;4-bromo-1,5-dimethyl-1H-[1,2,3]triazole;O11162;EN300-1271923;A900993

Chemical Property of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole

Chemical Property:

• Vapor Pressure: 0.031mmHg at 25°C
• Boiling Point: 244°C at 760 mmHg
• Flash Point: 101.4°C
• PSA: 30.71000
• Density: 1.77g/cm³
• LogP: 0.88600
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.97451
• Heavy Atom Count: 8
• Complexity: 87.4

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-1,5-dimethyl-1H-1,2,3-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=NN1C)Br

Technology Process of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole

There total 1 articles about 4-bromo-1,5-dimethyl-1H-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:

2-methyl-4,5-dibromo-2H-1,2,3-triazole (28938-17-2) + 1-methyl-4,5-dibromo-1H-1,2,3-triazole (25537-64-8) + methyl iodide (74-88-4) → 4-bromo-2,5-dimethyltriazole (942060-54-0) + 4-bromo-1,5-dimethyl-1H-1,2,3-triazole (885877-41-8)

Guidance literature:

2-methyl-4,5-dibromo-2H-1,2,3-triazole; 1-methyl-4,5-dibromo-1H-1,2,3-triazole; With n-butyllithium; In tetrahydrofuran; at -80 ℃; for 0.333333h;

methyl iodide; In tetrahydrofuran; at -80 ℃; for 2h;

upstream raw materials:

2-methyl-4,5-dibromo-2H-1,2,3-triazole

1-methyl-4,5-dibromo-1H-1,2,3-triazole

methyl iodide