5-Bromo-2-nitrobenzofuran

Base Information

• Chemical Name: 5-Bromo-2-nitrobenzofuran
• CAS No.: 30335-67-2
• Molecular Formula: C8H4 Br N O3
• Molecular Weight: 242.029
• NSC Number: 170705
• DSSTox Substance ID: DTXSID00305406
• Wikidata: Q82052034
• Mol file: 30335-67-2.mol

Synonyms:5-Bromo-2-nitrobenzofuran;30335-67-2;5-bromo-2-nitro-1-benzofuran;NSC170705;DTXSID00305406;NSC-170705;A911862

Chemical Property of 5-Bromo-2-nitrobenzofuran

Chemical Property:

• Vapor Pressure: 0.000273mmHg at 25°C
• Boiling Point: 333°C at 760 mmHg
• Flash Point: 155.2°C
• PSA: 58.96000
• Density: 1.801g/cm³
• LogP: 3.62670
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 240.93746
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-nitrobenzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C=C(O2)[N+](=O)[O-]

Technology Process of 5-Bromo-2-nitrobenzofuran

There total 13 articles about 5-Bromo-2-nitrobenzofuran 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: 92.0%

cis-5-bromo-3-hydroxy-2-nitro-2,3-dihydrobenzofuran (96089-31-5,96089-32-6) → 5-bromo-2-nitro-benzofuran (30335-67-2)

Guidance literature:

With potassium hydroxide; In ethanol; at 28.5 ℃;

Reference yield: 89.0%

trans-5-bromo-3-hydroxy-2-nitro-2,3-dihydrobenzofuran (96089-31-5,96089-32-6) → 5-bromo-2-nitro-benzofuran (30335-67-2)

Guidance literature:

With potassium hydroxide; In ethanol; at 28.5 ℃;

Reference yield: 51.0%

potassium trinitromethanide (14268-23-6) + 2-(acetyloxy)-5-bromobenzyl acetate → 5-bromo-2-nitro-benzofuran (30335-67-2)

Guidance literature:

With triethylamine; In ethanol; water; for 0.666667h; Inert atmosphere; Reflux;

DOI:10.1021/jo402543s

upstream raw materials:

2-nitro-3-hydroxy-2,3-dihydrobenzofuran

cis-5-bromo-3-hydroxy-2-nitro-2,3-dihydrobenzofuran

trans-5-bromo-3-hydroxy-2-nitro-2,3-dihydrobenzofuran

trans-3-acetoxy-5-bromo-2-nitro-2,3-dihydrobenzofuran