2-Bromo-6-iodobenzonitrile

Base Information

• Chemical Name: 2-Bromo-6-iodobenzonitrile
• CAS No.: 1245648-93-4
• Molecular Formula: C7H3BrIN
• Molecular Weight: 307.91389
• Hs Code.: 2926909090
• Mol file: 1245648-93-4.mol

Synonyms:2-Bromo-6-iodobenzonitrile

Chemical Property of 2-Bromo-6-iodobenzonitrile

Chemical Property:

• Boiling Point: 346.1±37.0 °C(Predicted)
• PSA: 23.79000
• Density: 2.31±0.1 g/cm3(Predicted)
• LogP: 2.92538
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-6-iodobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Bromo-6-iodobenzonitrile

There total 3 articles about 2-Bromo-6-iodobenzonitrile 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: 95.0%

2-bromo-6-iodobenzamide → 2-bromo-6-iodobenzonitrile (1245648-93-4)

Guidance literature:

With triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

2-bromo-6-iodobenzoic acid (1022128-96-6) → 2-bromo-6-iodobenzonitrile (1245648-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / tetrahydrofuran; N,N-dimethyl-formamide / 3 h

1.2: 3 h / 20 °C / Cooling with ice

2.1: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 2 h / 20 °C

With thionyl chloride; triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield:

2-bromobenzoic-acid (88-65-3) → 2-bromo-6-iodobenzonitrile (1245648-93-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: [bis(acetoxy)iodo]benzene; palladium diacetate; iodine / N,N-dimethyl-formamide / 24 h / 100 °C

2.1: thionyl chloride / tetrahydrofuran; N,N-dimethyl-formamide / 3 h

2.2: 3 h / 20 °C / Cooling with ice

3.1: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 2 h / 20 °C

With thionyl chloride; [bis(acetoxy)iodo]benzene; iodine; palladium diacetate; triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; N,N-dimethyl-formamide;

upstream raw materials:

2-bromo-6-iodobenzoic acid

2-bromobenzoic-acid

Downstream raw materials:

2-bromo-6-formylbenzonitrile