2,4,5-Tribromoimidazole

Base Information

• Chemical Name: 2,4,5-Tribromoimidazole
• CAS No.: 2034-22-2
• Molecular Formula: C3H Br3 N2
• Molecular Weight: 304.766
• Hs Code.: 29332990
• European Community (EC) Number: 217-997-5
• NSC Number: 514965
• UNII: 50V0252S9A
• DSSTox Substance ID: DTXSID2022173
• Nikkaji Number: J49.346E
• Wikidata: Q27893870
• Metabolomics Workbench ID: 181378
• ChEMBL ID: CHEMBL363992
• Mol file: 2034-22-2.mol

Synonyms:2,4,5-tribromoimidazole;2,4,5-tribromoimidazole cadmium salt (2:1)

Chemical Property of 2,4,5-Tribromoimidazole

Chemical Property:

• Appearance/Colour: BEIGE-YELLOW POWDER
• Vapor Pressure: 0.00617mmHg at 25°C
• Melting Point: 217-220 °C (dec.)(lit.)
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 401.3 °C at 760 mmHg
• PKA: 6.32±0.10(Predicted)
• Flash Point: 196.5 °C
• PSA: 28.68000
• Density: 2.782 g/cm³
• LogP: 2.69720
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 303.76694
• Heavy Atom Count: 8
• Complexity: 88.6

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Tribromoimidazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi
• Statements: 23/24/25-36/37/38-25
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(N=C(N1)Br)Br)Br

Technology Process of 2,4,5-Tribromoimidazole

There total 13 articles about 2,4,5-Tribromoimidazole 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: 93.0%

2,4,5-tribromo-1-(4-methoxybenzyl)-1H-imidazole (101901-58-0) → 2,4,5-tribromo-1H-imidazole (2034-22-2)

Guidance literature:

With trifluoroacetic acid; at 67 ℃; for 7h;

Reference yield: 92.0%

1H-imidazole (288-32-4) → 2,4,5-tribromo-1H-imidazole (2034-22-2)

Guidance literature:

With bromine; sodium acetate; acetic acid; at 40 ℃; for 3h;

Reference yield: 86.0%

2,4,5-tribromo-1-methoxymethyl-1H-imidazole (22927-61-3) → 2,4,5-tribromo-1H-imidazole (2034-22-2)

Guidance literature:

With hydrogenchloride; In ethanol; for 5h; Heating;

upstream raw materials:

1H-imidazole

2,4,5-tribromo-1-(4-methoxybenzyl)-1H-imidazole

2,4,5-tribromo-1-(3,4-dimethoxybenzyl)imidazole

2,4,5-tribromo-1-methoxymethyl-1H-imidazole

Downstream raw materials:

2,4,5-tribromo-1-(2-phenylsulphonylethyl)imidazole

2,4,5-tribromo-1-ethyl-1H-imidazole

1-benzyl-2,4,5-tribromo-1H-imidazole

2,4,5-tribromo-1-methoxymethyl-1H-imidazole

Refernces

• 1、 Bhattacharjee, M.,Boruah, S. R.,Chowdhury, S.,Das, N.,Dutta Purkayastha, R. N.. "Some contribution to W(VI)-peroxo-chemistry: Synthesis, spectroscopic characterization, reactivity and DFT studies". . . Retrieved 2022/01/14.
• 2、 Longkumer, Naruti,Richa, Kikoleho,Karmaker, Rituparna,Kuotsu, Visekhonuo,Supong, Aola,Jamir, Latonglila,Bharali, Pranjal,Sinha, Upasana Bora. "Green synthesis of bromo organic molecules and investigations on their antibacterial properties: An experimental and computational approach". . p. 276 - 283. Retrieved 2019/07/12.