5-Bromo-1-ethyl-1H-1,2,4-triazole

Base Information

• Chemical Name: 5-Bromo-1-ethyl-1H-1,2,4-triazole
• CAS No.: 64907-55-7
• Molecular Formula: C₄H₆BrN₃
• Molecular Weight: 176.016
• Hs Code.: 2933990090
• European Community (EC) Number: 809-686-3
• DSSTox Substance ID: DTXSID40343524
• Wikidata: Q82114883

Synonyms:5-Bromo-1-ethyl-1H-1,2,4-triazole;64907-55-7;5-bromo-1-ethyl-1,2,4-triazole;1-Ethyl-5-bromo-1,2,4-triazole;SCHEMBL16321601;DTXSID40343524;MFCD16987772;STL584014;AKOS015960003;BS-38374;5-Bromo-1-ethyl-1H-1,2,4-triazole #;1H-1,2,4-Triazole,5-bromo-1-ethyl-(9CI);EN300-233189;5-Bromo-1-ethyl-1H-1,2,4-triazole, AldrichCPR

Chemical Property of 5-Bromo-1-ethyl-1H-1,2,4-triazole

Chemical Property:

• PSA: 30.71000
• LogP: 1.06050
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.97451
• Heavy Atom Count: 8
• Complexity: 77.7

Purity/Quality:

98%min ^*data from raw suppliers

5-bromo-1-ethyl-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=NC=N1)Br

Technology Process of 5-Bromo-1-ethyl-1H-1,2,4-triazole

There total 2 articles about 5-Bromo-1-ethyl-1H-1,2,4-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:

ethyl iodide (75-03-6) + 3-bromo-4H-1,2,4-triazole (7343-33-1,15182-40-8) → 5-bromo-1-ethyl-1H-1,2,4-triazole (64907-55-7)

Guidance literature:

3-bromo-4H-1,2,4-triazole; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

ethyl iodide; In N,N-dimethyl-formamide; for 16h;

Reference yield:

→ 5-bromo-1-ethyl-1H-1,2,4-triazole (64907-55-7)

Guidance literature:

EtI, Bromtriazol;

DOI:10.1002/oms.1210120406

upstream raw materials:

ethyl iodide

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

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