1-(4-Bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde

Base Information

• Chemical Name: 1-(4-Bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde
• CAS No.: 916151-04-7
• Molecular Formula: C9H6BrN3O
• Molecular Weight: 252.07
• DSSTox Substance ID: DTXSID10581799
• Wikidata: Q82473061
• Mol file: 916151-04-7.mol

Synonyms:1-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE;916151-04-7;1-(4-bromophenyl)triazole-4-carbaldehyde;SCHEMBL25160211;1H-1,2,3-Triazole-4-carboxaldehyde, 1-(4-bromophenyl)-;DTXSID10581799;AKOS015150532;AB57159;EN300-337178;F2157-1266

Chemical Property of 1-(4-Bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde

Chemical Property:

• Melting Point: 190-191 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 401.0±51.0 °C(Predicted)
• PSA: 47.78000
• Density: 1.67±0.1 g/cm3(Predicted)
• LogP: 1.84230
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.96942
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C=C(N=N2)C=O)Br

Technology Process of 1-(4-Bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde

There total 6 articles about 1-(4-Bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde 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: 77.0%

[1‐(4‐bromo‐phenyl)‐1H‐[1,2,3]triazol‐4‐yl]‐methanol (1249756-52-2) → 1-(4-bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde (916151-04-7)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield: 76.0%

2-diazo-malonaldehyde (50704-41-1) + 4-bromoaniline hydrochloride (624-19-1) → 1-(4-bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde (916151-04-7)

Guidance literature:

In water; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2006.08.019

Reference yield: 76.0%

→ 1-(4-bromophenyl)-1H-1,2,3-triazole-4-carbaldehyde (916151-04-7)

Guidance literature:

upstream raw materials:

2-diazo-malonaldehyde

4-bromoaniline hydrochloride

[1‐(4‐bromo‐phenyl)‐1H‐[1,2,3]triazol‐4‐yl]‐methanol

1-azido-4-bromobenzene